data_2khn_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 2khn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.467 0.543 . . . . 74.11 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -115.64 22.95 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.364 0.602 . . . . 72.02 112.028 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.83 150.91 50.13 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.42 -0.809 . . . . 61.14 110.494 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.589 ' HB ' ' NE2' ' A' ' 114' ' ' GLN . 73.7 mt -92.55 109.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.329 0.585 . . . . 52.3 110.215 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.541 ' OG1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.01 166.89 22.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.201 -0.909 . . . . 71.44 110.888 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.69 -24.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 72.42 109.748 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.24 -47.43 79.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.467 -0.788 . . . . 64.24 110.356 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.541 ' HG2' ' OG1' ' A' ' 28' ' ' THR . 6.6 mm-40 -63.34 -36.33 83.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.418 0.628 . . . . 73.12 109.642 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -57.56 -42.31 82.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.192 -0.913 . . . . 75.5 110.209 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.83 57.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.042 -0.527 . . . . 63.12 111.013 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.699 ' HB3' ' HE1' ' A' ' 92' ' ' MET . 42.6 mmtt -58.74 -33.72 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.881 0.697 . . . . 71.42 112.881 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -27.45 67.82 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.675 -0.41 . . . . 73.04 111.693 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.06 -42.99 55.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.229 -0.442 . . . . 73.01 110.95 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -66.85 -41.09 87.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 72.12 110.518 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 65.0 mm-40 -69.41 -36.82 77.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.765 -0.457 . . . . 72.21 109.765 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.8 ' HA ' HD11 ' A' ' 42' ' ' LEU . 52.5 t80 -61.76 -37.19 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.793 -0.64 . . . . 73.12 110.113 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.43 -41.98 86.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 74.24 109.927 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 m -76.23 -17.05 59.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.454 -0.794 . . . . 61.52 112.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 49' ' ' ILE . 53.4 mt -69.6 -4.4 19.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.102 0.408 . . . . 71.23 112.102 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 mttt 59.27 61.49 4.4 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.674 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 33.3 Cg_exo -57.54 139.55 90.52 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.192 1.928 . . . . 73.44 111.986 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 45' ' ' ILE . 3.6 mp -71.14 -57.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 73.51 110.303 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.459 ' HB2' ' HE1' ' A' ' 48' ' ' PHE . 19.3 m -141.27 51.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.966 -0.561 . . . . 75.13 110.335 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.08 3.8 72.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.872 -0.68 . . . . 64.24 111.726 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HE1' ' HB2' ' A' ' 46' ' ' SER . 44.2 p90 -142.76 161.25 38.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.079 -0.341 . . . . 72.04 110.079 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.834 HD13 HD13 ' A' ' 42' ' ' LEU . 25.9 pt -115.55 -164.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.007 -0.542 . . . . 64.51 110.05 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -155.93 167.93 28.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.963 -0.562 . . . . 71.23 109.573 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.48 -23.19 62.33 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.479 -0.391 . . . . 62.23 112.809 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -73.15 -38.25 66.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 64.33 110.233 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.72 -34.04 62.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 65.32 110.113 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.48 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.678 -0.692 . . . . 70.32 110.913 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HA ' HD23 ' A' ' 68' ' ' LEU . 14.6 ptt180 -60.48 -35.3 75.57 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.189 -0.46 . . . . 72.0 110.645 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -64.3 -53.43 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.424 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.53 -54.05 51.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.817 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.686 ' HB2' HD21 ' A' ' 68' ' ' LEU . 10.5 m-85 -64.17 -38.55 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 74.22 110.975 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -64.2 -43.47 94.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 72.42 109.711 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -19.68 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.939 -1.028 . . . . 63.41 110.945 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 m -76.13 -5.54 47.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.5 . . . . 43.11 111.208 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.51 32.89 5.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 73.31 112.917 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 34.1 mt -110.52 144.17 29.66 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.528 0.204 . . . . 75.52 110.563 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 28.3 Cg_exo -62.99 153.02 76.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.961 2.44 . . . . 52.35 112.169 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.5 tt0 -58.46 -47.23 99.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.036 -0.529 . . . . 71.23 112.286 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.3 Cg_endo -54.4 -41.34 77.54 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.026 1.817 . . . . 72.14 112.211 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.418 HG11 ' HZ3' ' A' ' 98' ' ' LYS . 93.9 t -67.09 -45.3 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 44.4 110.358 177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 58' ' ' PHE . 2.3 tm? -57.56 -48.6 78.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.313 -0.858 . . . . 60.03 110.732 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.67 79.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.497 . . . . 71.21 111.244 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -42.9 78.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.024 -0.535 . . . . 70.21 110.008 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.62 -42.97 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.488 . . . . 73.44 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -64.56 -40.1 94.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.844 0.354 . . . . 75.11 110.549 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.84 62.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 70.31 111.425 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 94' ' ' LEU . 3.6 mt -94.54 -25.04 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 63.23 111.668 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' ' HE3' ' A' ' 83' ' ' MET . . . -67.85 -71.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.369 0.507 . . . . 61.14 112.369 -173.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.658 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 5.0 p-10 -90.74 95.32 10.08 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.237 0.541 . . . . 75.32 109.84 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -49.19 -35.7 17.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.035 -0.984 . . . . 65.42 112.48 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -78.94 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.841 0.353 . . . . 75.41 110.692 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.658 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.4 t-20 50.44 71.67 0.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 73.34 109.811 -170.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.4 -19.03 28.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.971 -1.013 . . . . 61.12 109.743 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.43 -15.3 46.5 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.515 -0.766 . . . . 71.23 112.489 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -97.42 -40.61 8.61 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.66 -0.318 . . . . 71.43 110.828 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.429 ' HE3' ' CB ' ' A' ' 75' ' ' ALA . 41.7 ttm 60.73 93.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.259 0.974 . . . . 72.01 109.938 -171.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.4 t0 -74.27 166.57 23.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.489 -0.56 . . . . 74.22 109.489 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.61 -19.5 49.41 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.047 -0.524 . . . . 74.42 111.401 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -56.49 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 63.22 110.202 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 90' ' ' ILE . 2.6 mp0 -61.33 -42.62 98.98 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.946 0.403 . . . . 75.51 110.523 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 42' ' ' LEU . 70.7 t80 -60.83 -29.2 69.35 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.006 -0.278 . . . . 72.52 111.056 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 t -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 73.42 110.997 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 87' ' ' GLU . 16.2 tt -97.11 -25.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.092 0.473 . . . . 54.5 110.014 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.68 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 62.43 111.969 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.699 ' HE1' ' HB3' ' A' ' 34' ' ' LYS . 16.7 ptm -61.64 -30.36 70.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 65.43 111.333 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.407 ' HD3' ' HE2' ' A' ' 112' ' ' MET . 32.8 tttp -72.25 -26.14 61.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.346 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 74' ' ' LEU . 1.4 mp -64.62 -44.36 90.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.623 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.472 HD11 ' H ' ' A' ' 95' ' ' ILE . 3.2 mp -58.3 -48.47 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.145 0.498 . . . . 54.22 109.722 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 87.3 tttt -63.08 -44.81 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.463 -0.789 . . . . 64.31 110.706 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.63 -43.56 89.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.471 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.418 ' HZ3' HG11 ' A' ' 67' ' ' VAL . 41.0 mtpt -71.96 -28.63 63.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.823 -0.351 . . . . 71.03 110.742 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.9 -8.33 55.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.338 . . . . 74.15 110.833 174.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 29.4 mm-40 -91.48 -1.4 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 73.52 110.026 173.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.1 61.55 1.08 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.916 -0.659 . . . . 74.51 112.072 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -143.7 171.49 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.381 0.61 . . . . 74.15 111.65 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.95 164.0 38.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.674 -1.148 . . . . 71.45 108.246 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -159.93 158.91 27.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 121.094 -0.243 . . . . 73.14 111.257 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' HD23 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -75.41 -171.68 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.371 2.714 . . . . 75.3 112.485 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 p -83.24 5.17 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.351 0.596 . . . . 65.51 111.584 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.09 121.67 36.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.577 -0.738 . . . . 51.45 111.135 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 2.7 mm? -79.4 149.26 71.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.794 -0.447 . . . . 64.53 109.794 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 18.2 Cg_exo -66.63 151.58 82.44 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 121.94 1.76 . . . . 74.3 110.92 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 39.4 Cg_exo -62.71 -23.54 74.58 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.709 2.273 . . . . 63.45 113.02 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -30.33 42.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.304 0.573 . . . . 71.1 109.986 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.421 ' HG2' HG13 ' A' ' 90' ' ' ILE . 16.7 ttt -81.16 -25.55 36.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.339 -0.846 . . . . 75.1 109.504 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 109' ' ' PRO . 5.9 mmmm -76.2 -43.74 41.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.393 -0.821 . . . . 74.03 109.304 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.589 ' NE2' ' HB ' ' A' ' 27' ' ' ILE . 45.5 mt-30 . . . . . 0 CA--C 1.517 -0.317 0 CA-C-N 114.417 -1.265 . . . . 54.34 111.421 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.616 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 14.4 m . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.888 0.375 . . . . 73.04 111.381 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.468 ' HH2' HD13 ' A' ' 104' ' ' LEU . 38.6 m95 -113.82 9.28 17.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.335 0.588 . . . . 73.42 111.292 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 171.84 7.18 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.525 -0.761 . . . . 75.34 110.602 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.6 mt -108.96 129.55 63.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.242 -0.435 . . . . 60.45 109.918 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.94 -178.47 4.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.725 -0.671 . . . . 73.43 110.691 -176.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.763 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 48.6 t -68.91 -32.62 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.97 0.414 . . . . 73.21 110.861 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -30.13 67.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.035 0.445 . . . . 61.43 109.86 175.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -78.23 -38.06 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.878 -0.601 . . . . 72.21 109.841 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.763 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -64.53 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.268 0.556 . . . . 62.23 110.141 178.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.59 57.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.554 -0.748 . . . . 75.32 111.222 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.2 tmtm? -59.19 -44.66 92.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 31.2 p80 -76.34 -28.98 57.07 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 120.206 -0.598 . . . . 73.24 111.327 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.05 -43.37 73.75 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.407 0.442 . . . . 63.31 111.754 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -60.66 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 61.23 111.422 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.92 -33.58 51.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 72.22 111.151 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' HZ ' HD11 ' A' ' 49' ' ' ILE . 2.3 t80 -64.78 -34.23 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 60.42 110.367 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.27 -38.37 71.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 72.14 110.252 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -75.79 -16.18 60.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.45 -0.796 . . . . 75.0 112.28 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD12 ' HD2' ' A' ' 57' ' ' PHE . 70.4 mt -75.33 -11.34 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.545 0.212 . . . . 73.44 111.215 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.88 65.7 1.94 Allowed Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.57 . . . . 74.45 112.07 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.81 136.48 23.15 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.011 1.807 . . . . 71.42 111.011 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.9 mm -90.82 -77.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.815 -0.354 . . . . 54.52 111.402 -176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -111.57 48.18 0.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.025 0.44 . . . . 75.14 110.845 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 21.01 79.24 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.761 -0.654 . . . . 51.44 112.962 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.562 -0.375 . . . . 74.35 110.286 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.604 HD11 ' HZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -138.74 171.62 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.174 -0.676 . . . . 73.42 109.174 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.683 HG21 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -131.87 -164.97 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.693 -0.403 . . . . 65.32 110.787 178.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.683 ' H ' HG21 ' A' ' 50' ' ' THR . . . -51.34 -37.13 38.69 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 123.291 0.369 . . . . 74.0 113.699 -175.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.37 -50.29 71.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.205 0.526 . . . . 72.44 111.264 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB3' HD13 ' A' ' 42' ' ' LEU . 3.5 mp0 -66.84 -46.28 75.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 63.25 110.292 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.06 79.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 71.4 111.426 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 79.5 ttt180 -60.04 -47.4 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 62.21 111.184 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 38.3 m-80 -67.56 -31.65 71.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.565 -0.289 . . . . 65.33 111.163 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' HD2' HD12 ' A' ' 42' ' ' LEU . 50.8 t80 -58.68 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 72.41 111.548 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.735 ' HB2' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -79.33 -24.13 43.0 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.784 -0.766 . . . . 73.54 111.546 -175.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.86 -26.92 63.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.164 0.507 . . . . 75.41 110.003 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -63.69 -40.26 96.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 70.13 109.649 176.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -66.68 -20.05 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.53 . . . . 53.45 111.616 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.4 38.41 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.46 -0.876 . . . . 73.34 113.647 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HB2' HD21 ' A' ' 68' ' ' LEU . 54.2 mt -101.41 154.46 37.21 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.813 0.307 . . . . 70.15 110.357 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.582 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.4 Cg_exo -58.48 149.41 75.16 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.826 2.351 . . . . 74.01 111.861 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.531 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.8 tt0 -59.96 -46.76 98.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.749 0.648 . . . . 74.14 112.749 -174.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 9.8 Cg_endo -54.63 -40.77 82.62 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.916 1.744 . . . . 73.41 111.497 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.854 HG11 ' HE2' ' A' ' 98' ' ' LYS . 50.6 t -62.2 -44.31 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.317 -0.856 . . . . 61.13 110.812 175.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.735 HD23 ' HB2' ' A' ' 58' ' ' PHE . 84.1 mt -63.15 -53.47 52.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.722 -0.672 . . . . 74.03 111.105 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.88 70.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 55.11 110.984 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -69.42 -37.61 77.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.538 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.847 HD12 HG12 ' A' ' 95' ' ' ILE . 26.9 mt -62.84 -38.83 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.9 -0.407 . . . . 64.35 109.9 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.423 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 19.1 t90 -66.66 -45.2 79.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 72.2 110.522 177.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -19.28 65.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.451 0.643 . . . . 71.12 110.46 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.793 HD21 ' HG ' ' A' ' 108' ' ' LEU . 10.8 mt -91.71 -27.2 18.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.229 -0.896 . . . . 74.32 111.771 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.55 -71.53 0.18 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.94 0.4 . . . . 65.35 110.884 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 96.69 6.16 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 107.601 -1.259 . . . . 52.35 107.601 169.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.7 mtm -54.25 -30.12 49.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.238 -1.346 . . . . 71.53 113.046 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -85.3 -1.34 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.038 -0.414 . . . . 73.43 110.195 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER 55.07 77.42 0.21 Allowed 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.707 -0.849 . . . . 53.52 108.707 -169.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.12 -23.88 24.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.807 -1.088 . . . . 75.25 109.08 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.423 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 75.81 28.8 60.28 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.455 -0.793 . . . . 60.21 112.932 174.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 83' ' ' MET . 34.1 ptt180 -165.45 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 64.53 110.502 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.505 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 7.1 ptp 58.65 177.39 0.07 Allowed 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.43 -1.259 . . . . 73.33 112.531 174.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -134.09 -176.67 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.771 -0.825 . . . . 70.13 108.771 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.538 HE22 HD11 ' A' ' 49' ' ' ILE . 74.0 mm-40 -56.04 -29.96 61.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.02 0.378 . . . . 51.1 112.02 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.56 -44.32 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.981 -0.287 . . . . 71.23 110.979 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 19.4 mp0 -68.6 -37.89 80.19 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.417 0.627 . . . . 75.52 110.345 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.28 -34.71 77.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.691 -0.686 . . . . 74.53 110.611 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -76.12 -17.8 59.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.969 -0.56 . . . . 73.11 111.58 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.0 tt -97.31 -40.46 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.768 -0.373 . . . . 72.42 111.407 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -27.48 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 63.54 111.81 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -28.48 68.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.838 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.616 ' HE2' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -79.0 -29.37 43.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.924 -0.398 . . . . 61.23 109.924 -177.049 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.66 HD21 HG12 ' A' ' 71' ' ' ILE . 21.3 tp -61.46 -45.67 93.3 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.096 -0.705 . . . . 63.34 109.096 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.847 HG12 HD12 ' A' ' 71' ' ' ILE . 47.8 mt -55.13 -45.31 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.994 -1.003 . . . . 74.15 111.057 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.49 -52.41 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.677 -0.692 . . . . 74.35 111.618 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.84 -26.34 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.938 -0.305 . . . . 72.25 110.864 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.854 ' HE2' HG11 ' A' ' 67' ' ' VAL . 67.4 tttt -64.65 -28.76 69.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.452 . . . . 65.31 109.922 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 95' ' ' ILE . 67.3 mt -60.17 -24.41 64.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.442 -0.799 . . . . 71.22 111.46 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -80.34 -9.19 59.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.47 -0.332 . . . . 73.42 111.096 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.6 54.1 0.41 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 74.51 112.514 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -132.96 168.43 18.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.615 -0.513 . . . . 74.51 109.615 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.782 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 90.9 mt-30 -136.4 -51.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.329 -0.148 . . . . 74.44 111.144 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD13 ' HH2' ' A' ' 25' ' ' TRP . 7.4 mp 65.75 165.37 0.12 Allowed Pre-proline 0 N--CA 1.469 0.505 0 O-C-N 123.568 0.542 . . . . 75.12 111.543 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.46 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.5 Cg_endo -98.38 -164.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.3 2.667 . . . . 73.34 112.938 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.6 m -81.79 6.64 14.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 71.55 111.344 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.44 109.56 20.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.771 -0.65 . . . . 73.24 110.922 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.793 ' HG ' HD21 ' A' ' 74' ' ' LEU . 35.5 mt -74.4 146.26 83.74 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.267 -0.424 . . . . 71.34 110.834 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 13.9 Cg_exo -70.22 152.8 67.09 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.332 2.022 . . . . 54.34 111.53 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.24 -4.91 16.17 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.661 2.241 . . . . 73.34 112.451 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.2 t -83.17 -30.73 8.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.984 -0.553 . . . . 73.25 110.911 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' A' ' 93' ' ' LYS . 72.2 mtp -76.42 -38.15 55.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.379 . . . . 74.54 110.483 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.48 -20.95 25.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.102 -0.499 . . . . 74.03 110.461 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.233 0.196 0 CA-C-N 115.585 -0.734 . . . . 64.55 110.791 -177.657 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.855 0.836 . . . . 65.14 109.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.62 ' O ' ' HG3' ' A' ' 112' ' ' MET . 86.0 m95 -89.14 24.44 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.761 -1.109 . . . . 74.4 110.832 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.91 154.44 18.36 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.795 -1.093 . . . . 71.1 109.91 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.3 83.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.319 0.58 . . . . 64.32 109.577 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.66 -177.16 3.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.092 -0.958 . . . . 54.34 110.886 -177.741 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.557 ' H ' HG23 ' A' ' 28' ' ' THR . 7.2 p -54.71 -47.32 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.53 0.567 . . . . 53.32 112.53 -176.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -48.55 76.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.787 0.327 . . . . 62.33 110.164 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HE3' ' A' ' 92' ' ' MET . 5.0 mm-40 -56.29 -50.77 70.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.59 -0.732 . . . . 73.31 109.643 177.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.72 -41.62 95.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.879 . . . . 61.52 111.156 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.01 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.463 0.173 . . . . 72.23 111.318 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -57.56 -25.91 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 63.54 112.023 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' HB3' ' HE2' ' A' ' 92' ' ' MET . 11.7 p-80 -56.32 -35.77 67.94 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 120.773 0.321 . . . . 64.23 110.309 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.95 -50.09 63.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.803 -0.635 . . . . 73.14 110.909 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -62.66 -49.12 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 74.11 110.824 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.24 -34.76 76.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 73.03 111.349 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' HE1' HD11 ' A' ' 49' ' ' ILE . 56.5 t80 -64.18 -40.44 96.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 73.05 110.651 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.85 -38.5 86.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.081 0.467 . . . . 73.03 110.054 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -76.51 -18.08 58.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 63.45 111.474 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD21 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -65.12 -17.86 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 72.03 110.771 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? 65.64 72.51 0.45 Allowed Pre-proline 0 C--O 1.234 0.275 0 N-CA-C 108.653 -0.869 . . . . 64.12 108.653 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.71 138.7 87.37 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.594 2.196 . . . . 71.13 112.441 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.75 91.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.365 -0.834 . . . . 74.42 109.155 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 61.21 24.29 14.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.983 -0.553 . . . . 62.03 111.775 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.32 11.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.344 -0.931 . . . . 61.32 113.738 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -130.13 169.6 15.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.55 0.675 . . . . 75.02 111.292 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.63 -177.42 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.58 -0.526 . . . . 74.33 109.58 177.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 t -161.53 177.84 9.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.763 -0.198 . . . . 73.41 110.484 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.64 68.26 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 116.193 -0.458 . . . . 74.45 113.27 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.82 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 73.44 111.289 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 11.0 mm-40 -72.62 -33.51 66.71 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.632 -0.427 . . . . 73.51 110.239 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.73 29.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 73.31 110.737 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -59.3 -40.71 87.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.557 -0.292 . . . . 75.3 111.305 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -66.8 -53.28 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 63.24 111.119 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.445 ' CG ' HD21 ' A' ' 42' ' ' LEU . 54.5 t80 -65.02 -48.12 75.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.356 -0.384 . . . . 75.24 111.034 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.83 ' HB3' HD21 ' A' ' 68' ' ' LEU . 2.1 m-85 -59.25 -41.91 89.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.37 -0.377 . . . . 70.11 110.528 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.89 -41.2 97.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.193 0.52 . . . . 75.21 110.132 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -74.73 -5.19 41.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.751 -0.659 . . . . 73.3 110.583 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -84.14 -8.04 59.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 75.15 110.666 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.66 5.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.526 -0.845 . . . . 72.11 112.761 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 HD22 HG11 ' A' ' 67' ' ' VAL . 78.0 mt -129.65 143.45 49.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.235 -0.283 . . . . 73.32 110.235 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 66.7 Cg_endo -76.21 163.69 32.29 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.582 2.188 . . . . 75.15 113.014 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.62 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -50.91 -52.12 60.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.292 -0.867 . . . . 73.12 112.996 -175.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 53.0 Cg_exo -54.5 -36.3 88.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.104 1.869 . . . . 65.32 112.489 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.608 HG12 ' HZ2' ' A' ' 98' ' ' LYS . 63.4 t -72.32 -41.82 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.56 178.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 58' ' ' PHE . 53.7 mt -61.22 -51.43 69.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 72.21 110.528 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.81 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.213 -0.903 . . . . 62.14 111.219 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.18 -39.96 95.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.39 -0.368 . . . . 63.42 111.005 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.759 HG12 HD23 ' A' ' 94' ' ' LEU . 97.7 mt -68.59 -44.63 82.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.156 0.503 . . . . 65.24 110.085 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.761 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.5 t90 -63.94 -42.67 97.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.755 . . . . 74.34 111.342 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -12.83 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.845 0.355 . . . . 75.14 111.206 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.878 HD22 ' HG ' ' A' ' 108' ' ' LEU . 22.8 mt -97.34 -38.38 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 63.43 111.993 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . . . -62.98 -69.13 0.28 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.517 -0.311 . . . . 74.44 111.57 -169.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -83.91 95.62 8.56 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 107.645 -1.242 . . . . 74.1 107.645 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.474 ' SD ' ' HE3' ' A' ' 113' ' ' LYS . 48.0 mtm -52.94 -32.55 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.6 -1.182 . . . . 74.33 113.38 -173.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -77.89 -11.87 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.488 0.661 . . . . 74.23 109.704 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 49.17 76.17 0.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.587 -1.188 . . . . 71.22 111.059 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.7 -24.95 16.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.093 -1.412 . . . . 75.34 108.905 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.761 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 92.64 29.93 10.3 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.302 -0.863 . . . . 71.52 112.103 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 82' ' ' ARG . 12.1 ptm85 -125.45 -48.56 1.69 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.854 -0.339 . . . . 71.04 111.799 -175.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.577 ' HA ' ' HB2' ' A' ' 87' ' ' GLU . 12.2 ptp 43.14 74.91 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 72.03 111.455 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.99 -176.73 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.692 -0.855 . . . . 61.35 108.692 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.89 -39.3 53.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.053 0.76 . . . . 74.43 113.053 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.58 -48.6 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 118.023 0.374 . . . . 64.24 110.863 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 83' ' ' MET . 1.8 mp0 -66.12 -30.71 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.229 0.537 . . . . 70.51 110.891 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.99 -28.58 62.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.025 0.44 . . . . 75.55 110.682 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.552 ' O ' ' HE1' ' A' ' 92' ' ' MET . 58.4 m -66.78 -8.0 25.26 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.102 -0.499 . . . . 72.54 112.043 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 87' ' ' GLU . 10.9 tt -110.9 -20.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.086 0.469 . . . . 74.42 110.595 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -76.2 -36.26 58.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.02 112.278 -173.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.552 ' HE1' ' O ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -72.5 -22.23 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.488 -0.324 . . . . 74.45 111.828 -174.095 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -69.08 -38.9 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 74.13 110.205 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.759 HD23 HG12 ' A' ' 71' ' ' ILE . 9.0 tp -65.76 -40.86 92.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.088 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.9 mt -57.93 -47.32 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 73.2 109.998 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -55.37 -41.52 72.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.278 -0.874 . . . . 63.11 111.414 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.64 -34.28 19.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 63.42 111.448 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.608 ' HZ2' HG12 ' A' ' 67' ' ' VAL . 8.1 mtpm? -71.32 -27.86 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.891 -0.323 . . . . 72.32 111.058 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.94 -12.39 59.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.004 0.43 . . . . 71.41 110.731 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.55 -5.45 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.372 0.606 . . . . 71.22 109.666 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.06 49.52 2.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.894 -0.67 . . . . 38.83 112.085 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.69 161.18 20.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.302 0.572 . . . . 73.12 111.623 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -136.13 150.48 49.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.722 -1.126 . . . . 65.2 109.958 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 22.2 tp -153.59 142.62 14.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 5.1 Cg_exo -81.7 -166.0 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.751 2.3 . . . . 73.42 111.893 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.633 ' HA ' HD23 ' A' ' 74' ' ' LEU . 69.9 m -79.9 14.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.213 0.53 . . . . 73.4 111.458 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.95 90.62 3.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.972 -0.558 . . . . 64.23 110.526 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.878 ' HG ' HD22 ' A' ' 74' ' ' LEU . 26.1 mt -67.65 144.59 97.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.449 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 27.6 Cg_exo -62.6 152.31 78.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 121.981 1.787 . . . . 65.22 110.752 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.98 -20.92 72.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.79 2.326 . . . . 65.0 112.782 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.71 -31.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.222 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 25' ' ' TRP . 78.5 mtp -74.42 -44.87 49.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 70.51 110.457 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.474 ' HE3' ' SD ' ' A' ' 77' ' ' MET . 14.7 ptmt -78.67 -12.78 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.208 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 115.289 -0.869 . . . . 64.21 112.259 168.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.56 HG21 HD12 ' A' ' 97' ' ' LEU . 21.8 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.872 0.368 . . . . 73.14 110.672 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.705 ' HH2' HD12 ' A' ' 104' ' ' LEU . 94.2 m95 -79.92 -21.62 43.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.028 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 134.33 52.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.817 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -81.03 99.22 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.273 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -71.37 166.8 20.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 71.03 110.387 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -50.84 -42.67 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 122.561 0.344 . . . . 74.44 111.488 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -62.69 -44.54 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 75.52 111.132 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.774 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 6.3 mm-40 -66.56 -31.67 72.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.209 0.528 . . . . 70.21 110.318 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.98 -47.82 67.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 74.33 110.287 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 62.45 112.222 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.774 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 17.6 ptmt -57.94 -26.69 62.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.662 0.245 . . . . 71.41 111.662 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.1 p-80 -60.08 -35.57 75.47 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.741 0.305 . . . . 71.34 110.302 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.03 -49.32 65.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.91 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.43 -46.21 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 73.52 110.772 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.634 HE21 ' N ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.52 -41.01 89.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.773 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 12.6 t80 -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.971 -0.559 . . . . 61.53 110.27 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.12 -39.19 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.413 -0.812 . . . . 73.1 110.77 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -75.34 -19.02 59.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 70.54 111.617 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 53' ' ' GLN . 2.8 tt -78.13 -2.75 39.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.907 0.384 . . . . 73.22 111.177 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 65.42 74.43 0.38 Allowed Pre-proline 0 N--CA 1.466 0.375 0 CA-C-N 116.021 -0.536 . . . . 73.44 110.305 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.27 155.41 28.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.518 2.145 . . . . 74.53 112.535 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.04 117.74 55.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.537 -0.542 . . . . 74.3 109.537 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 64.12 27.39 14.08 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.635 0.584 . . . . 71.2 110.528 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.19 36.2 89.65 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.869 -0.681 . . . . 70.11 111.894 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -150.38 145.55 26.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.866 0.365 . . . . 72.03 110.411 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.404 ' C ' ' HG1' ' A' ' 50' ' ' THR . 2.6 pp -114.74 -172.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.976 -0.556 . . . . 75.4 109.837 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.625 HG21 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -151.81 179.41 8.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.901 -0.407 . . . . 63.22 109.901 177.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.625 ' H ' HG21 ' A' ' 50' ' ' THR . . . -57.94 -46.2 92.77 Favored Glycine 0 C--N 1.333 0.383 0 O-C-N 123.296 0.373 . . . . 72.43 113.868 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -60.44 -43.25 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.013 0.406 . . . . 72.01 110.689 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HB3' HD22 ' A' ' 42' ' ' LEU . 14.2 mm100 -64.97 -37.86 89.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 61.45 111.168 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.29 70.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 71.32 110.712 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 48.0 mtp85 -59.71 -49.82 76.25 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.789 -0.641 . . . . 74.53 110.561 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -52.16 -45.96 65.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.791 -1.095 . . . . 71.31 111.52 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -61.91 -48.01 82.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 74.24 110.557 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.598 ' CB ' HD23 ' A' ' 68' ' ' LEU . 12.3 m-30 -61.25 -34.6 75.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.467 . . . . 74.22 110.407 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.78 -36.54 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 75.13 110.31 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.48 -5.02 40.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.201 -0.454 . . . . 65.25 111.42 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m -90.23 -5.4 56.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.067 0.46 . . . . 64.31 110.935 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.05 18.26 44.03 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.913 -0.66 . . . . 73.41 112.752 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.709 HD22 HG13 ' A' ' 67' ' ' VAL . 85.4 mt -107.73 144.9 30.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 122.874 -0.192 . . . . 71.42 110.725 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 72.4 Cg_endo -77.3 163.94 29.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.963 2.442 . . . . 63.53 113.227 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.625 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 83.6 mm-40 -48.41 -52.81 40.24 Favored Pre-proline 0 N--CA 1.472 0.666 0 N-CA-C 113.353 0.871 . . . . 75.23 113.353 -175.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.9 Cg_exo -54.47 -36.67 88.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.182 1.921 . . . . 63.54 112.255 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.709 HG13 HD22 ' A' ' 63' ' ' LEU . 54.1 t -72.71 -39.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.69 . . . . 73.23 110.472 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 24.1 mt -62.04 -54.6 39.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.932 -0.576 . . . . 75.05 110.347 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.31 75.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.128 -0.942 . . . . 61.24 110.928 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -68.11 -31.31 70.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.429 -0.35 . . . . 74.34 111.458 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.33 -47.29 60.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.874 -0.417 . . . . 71.21 109.874 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.465 ' HD1' ' HE1' ' A' ' 83' ' ' MET . 19.3 t90 -58.66 -57.08 14.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.61 -0.723 . . . . 71.42 110.658 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.85 57.75 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.563 0.539 . . . . 73.13 112.037 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.487 HD11 HD21 ' A' ' 94' ' ' LEU . 3.9 mt -86.76 -39.31 16.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.637 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' CE ' ' A' ' 83' ' ' MET . . . -64.6 -52.88 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.895 -0.593 . . . . 61.01 111.487 -173.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -85.68 93.71 8.91 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.895 0.855 . . . . 62.42 108.703 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 ptp -59.49 -30.82 68.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.817 -1.083 . . . . 74.41 112.052 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -82.49 -7.63 59.63 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.723 -0.671 . . . . 63.21 110.492 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.406 HD21 ' HA ' ' A' ' 79' ' ' ASN . 3.2 t-20 49.47 75.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.22 -0.9 . . . . 70.03 110.175 -172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 34.1 t70 -77.39 -32.61 54.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.917 -1.038 . . . . 70.42 109.835 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.09 -5.24 85.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.807 -0.711 . . . . 74.43 112.196 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 43.9 mtm180 -119.7 -46.5 2.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.239 -0.282 . . . . 74.44 110.239 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.733 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 44.6 ttm 70.43 115.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.371 1.044 . . . . 75.54 112.144 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.8 -174.69 3.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.484 -0.78 . . . . 65.31 109.084 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.36 -25.38 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.634 0.235 . . . . 73.42 111.634 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HB ' ' OE1' ' A' ' 87' ' ' GLU . 58.7 t -67.91 -57.04 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.727 0.299 . . . . 61.15 110.323 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.733 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 1.6 mp0 -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 70.11 110.227 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.592 ' HZ ' HD13 ' A' ' 42' ' ' LEU . 23.5 t80 -68.86 -28.9 67.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.905 -0.589 . . . . 74.34 110.466 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.1 m -68.99 -46.8 67.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.82 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.57 -29.71 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 72.13 110.633 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . . . -65.46 -35.1 79.9 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.163 -0.472 . . . . 73.33 111.108 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.517 ' HE2' ' HB3' ' A' ' 38' ' ' GLN . 18.0 mmt -70.11 -15.05 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.965 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.683 ' HZ3' ' HG3' ' A' ' 31' ' ' GLU . 64.6 tttp -91.03 -34.12 15.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.454 -0.498 . . . . 73.5 110.162 176.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.487 HD21 HD11 ' A' ' 74' ' ' LEU . 1.1 mp -57.35 -35.79 70.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.357 -0.383 . . . . 72.22 111.645 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 58' ' ' PHE . 37.8 mt -57.42 -39.81 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 37.6 110.88 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -67.12 -43.69 81.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.274 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.56 HD12 HG21 ' A' ' 24' ' ' THR . 3.6 mm? -69.02 -37.2 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 54.53 110.129 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HE2' HG11 ' A' ' 67' ' ' VAL . 16.8 tptt -61.96 -49.28 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.592 -0.731 . . . . 55.33 110.715 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.3 mt -67.64 -25.69 65.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.419 -0.81 . . . . 74.34 112.341 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.94 0.28 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.562 0.578 . . . . 74.31 112.562 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 135.98 -14.87 4.06 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 119.326 -1.416 . . . . 75.35 114.396 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 94.4 m-85 -87.91 159.54 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.485 0.642 . . . . 74.11 110.493 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -137.63 -34.15 0.7 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.013 -0.54 . . . . 64.34 110.809 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.705 HD12 ' HH2' ' A' ' 25' ' ' TRP . 6.5 mp 66.34 156.08 0.13 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-O 121.443 0.639 . . . . 74.13 112.584 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 8.4 Cg_endo -88.42 -163.23 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.478 2.785 . . . . 74.25 110.915 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -77.53 -0.75 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.219 0.533 . . . . 73.12 110.737 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.65 117.37 26.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.813 -0.63 . . . . 74.05 110.803 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 74' ' ' LEU . 2.9 pp -91.4 160.96 35.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 70.31 111.085 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 32.1 Cg_exo -59.93 152.41 64.6 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.709 2.273 . . . . 64.44 113.017 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 17.2 Cg_exo -68.47 -15.26 41.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.977 2.452 . . . . 71.53 112.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.52 -19.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 54.21 110.734 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.657 ' HE3' ' HE3' ' A' ' 25' ' ' TRP . 48.3 mtt -93.96 -47.58 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 72.35 111.361 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 12.2 ptmt -67.27 -38.94 85.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 73.3 110.554 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 113.715 1.006 . . . . 71.02 113.715 170.353 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 111.791 0.293 . . . . 75.01 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -92.59 10.54 29.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.506 0.67 . . . . 73.52 111.288 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.56 174.56 6.32 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.861 -1.063 . . . . 75.31 109.313 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 mm -103.96 102.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.516 0.674 . . . . 72.43 110.921 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -81.52 159.28 24.2 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.901 -1.045 . . . . 73.43 109.733 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.652 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 26.3 t -58.4 -22.97 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 73.25 110.228 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.26 -43.86 49.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 74.43 109.677 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.89 -41.07 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.513 -0.312 . . . . 74.4 111.545 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 11.7 ptm180 -61.37 -37.51 83.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 72.03 110.237 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.12 -38.67 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.607 -0.724 . . . . 71.15 111.17 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -56.31 -41.7 76.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 54.31 110.886 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 46.8 m170 -64.1 -34.0 77.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 63.21 111.966 -174.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.5 -42.11 79.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.621 0.248 . . . . 64.32 110.743 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.46 -35.84 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 60.21 110.492 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -73.36 -50.94 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 72.23 110.004 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HA ' HD23 ' A' ' 42' ' ' LEU . 24.8 t80 -60.09 -33.14 71.68 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.713 -0.676 . . . . 74.42 111.51 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -35.98 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.916 -0.584 . . . . 75.5 110.913 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -76.63 -17.23 59.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 51.12 112.306 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 39' ' ' PHE . 4.4 mm? -68.5 -7.53 33.06 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 64.33 112.208 -176.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mttt 64.04 62.4 1.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.434 -0.803 . . . . 73.03 110.86 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 15.7 Cg_exo -64.16 131.8 31.75 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.881 1.721 . . . . 73.3 111.464 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 tt -68.27 -36.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 64.3 110.792 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -152.77 -60.33 0.15 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.888 -0.782 . . . . 62.45 108.888 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 19.68 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.432 -0.804 . . . . 74.25 111.43 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.663 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 35.5 p90 -153.76 167.62 29.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.716 0.293 . . . . 64.41 111.036 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.12 -164.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.445 -0.798 . . . . 64.51 109.268 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 51' ' ' GLY . 2.2 m -140.6 171.09 14.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.056 -0.349 . . . . 74.32 110.056 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.577 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -52.66 -41.78 57.63 Favored Glycine 0 C--N 1.337 0.584 0 O-C-N 123.254 0.346 . . . . 60.1 112.696 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.67 -46.65 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 73.45 110.797 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.62 -40.01 86.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.865 -0.607 . . . . 70.04 110.614 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.45 46.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 54.22 110.959 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 23.6 mtt180 -59.76 -41.77 91.77 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.275 -0.421 . . . . 73.33 110.48 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -54.86 -46.93 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.545 -0.752 . . . . 64.14 110.967 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.94 -44.68 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 73.41 110.969 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.69 ' CB ' HD23 ' A' ' 68' ' ' LEU . 9.8 m-30 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.012 0.434 . . . . 71.53 110.226 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -65.25 -40.94 94.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 73.42 110.501 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.86 -23.6 67.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.75 -0.659 . . . . 72.43 110.841 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB3' HD11 ' A' ' 99' ' ' LEU . 50.4 m -80.5 -7.69 59.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 60.11 111.199 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.36 4.32 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.658 -0.782 . . . . 54.11 112.787 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.655 HD22 HG13 ' A' ' 67' ' ' VAL . 87.2 mt -123.53 143.82 42.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.629 0.252 . . . . 72.44 110.397 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.4 Cg_exo -72.05 160.11 48.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.39 2.727 . . . . 75.11 112.327 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.598 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mp0 -56.22 -46.7 99.76 Favored Pre-proline 0 N--CA 1.469 0.501 0 N-CA-C 113.41 0.893 . . . . 73.45 113.41 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.61 -30.04 73.04 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.928 1.752 . . . . 74.24 112.046 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.655 HG13 HD22 ' A' ' 63' ' ' LEU . 93.9 t -80.19 -33.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.796 -0.638 . . . . 73.42 110.23 178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.69 HD23 ' CB ' ' A' ' 58' ' ' PHE . 15.6 mt -63.29 -52.59 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.504 0.669 . . . . 71.35 109.669 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.03 69.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.004 -0.998 . . . . 72.52 110.895 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -62.21 -40.03 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.145 0.498 . . . . 74.21 109.871 177.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.553 ' HA ' HD23 ' A' ' 94' ' ' LEU . 33.6 mt -70.2 -46.67 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.606 . . . . 64.51 110.305 176.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -66.33 -38.03 86.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 73.21 111.534 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -29.2 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.261 0.553 . . . . 71.54 110.443 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 105' ' ' PRO . 27.2 mt -82.77 -41.81 18.73 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.443 -0.798 . . . . 74.13 110.868 176.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -65.46 -48.31 73.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.591 -0.731 . . . . 62.41 112.289 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 35.6 t0 -75.7 73.79 2.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.54 0.686 . . . . 74.53 109.827 -176.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -67.68 -41.09 84.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 114.955 -1.02 . . . . 71.44 111.9 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -83.99 -10.08 58.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.451 -0.574 . . . . 71.21 109.451 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.624 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.1 t-20 52.7 70.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.628 -1.169 . . . . 70.34 110.715 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 8.6 t70 -96.15 -25.09 15.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.081 -0.963 . . . . 73.52 109.585 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.15 -23.63 23.11 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.896 -0.669 . . . . 64.03 112.039 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -115.17 -39.45 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.523 -0.547 . . . . 72.25 109.523 175.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 82' ' ' ARG . 3.7 ptp 64.09 173.01 0.18 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.748 1.28 . . . . 73.3 111.073 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -134.17 -175.68 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.39 -0.596 . . . . 72.21 109.39 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.663 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 27.6 mm-40 -59.39 -19.88 50.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.78 1.03 . . . . 75.34 113.78 -171.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.48 -56.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.773 -0.454 . . . . 74.12 109.773 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 90' ' ' ILE . 7.1 mp0 -65.17 -36.17 83.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.671 -0.695 . . . . 62.21 111.094 176.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' A' ' 42' ' ' LEU . 37.4 t80 -72.75 -28.07 62.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.425 -0.352 . . . . 74.54 111.551 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -55.6 -38.52 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 74.51 111.067 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 87' ' ' GLU . 18.4 tt -74.6 -22.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.011 0.434 . . . . 75.25 111.064 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.706 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -75.9 -32.48 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 71.02 111.471 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.957 ' HA ' ' HE3' ' A' ' 92' ' ' MET . 10.6 mmt -69.9 -8.66 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.513 0.56 . . . . 72.44 112.513 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HE2' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -105.15 -15.11 15.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 70.02 110.628 178.287 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 71' ' ' ILE . 11.9 tp -77.43 -31.52 54.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.139 0.495 . . . . 53.34 109.775 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 71' ' ' ILE . 17.1 mm -54.15 -49.21 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.042 -0.981 . . . . 72.15 109.956 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -55.23 -50.96 68.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.347 -0.842 . . . . 75.33 111.016 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 32.4 tp -68.63 -44.51 74.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 72.4 111.404 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.606 ' HE3' HG11 ' A' ' 67' ' ' VAL . 28.3 mtpp -71.97 -28.67 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.922 -0.311 . . . . 72.41 111.447 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 61' ' ' SER . 25.6 mt -68.94 -16.16 63.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.598 0.237 . . . . 75.14 110.941 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -91.57 -4.74 55.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 73.13 110.394 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.62 53.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.972 -0.633 . . . . 72.51 113.016 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.489 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 96.5 m-85 -133.76 160.51 37.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.102 0.477 . . . . 70.12 111.025 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -154.39 151.62 29.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.783 -0.644 . . . . 61.34 110.342 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.4 tp -150.09 144.89 18.03 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.422 -0.584 . . . . 74.54 109.422 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.601 ' O ' HD23 ' A' ' 74' ' ' LEU . 52.0 Cg_exo -55.08 166.39 2.24 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.602 2.201 . . . . 73.33 112.507 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 p -73.71 0.68 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.083 0.468 . . . . 63.42 112.042 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.58 21.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.64 -0.709 . . . . 65.33 110.683 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 108' ' ' LEU . 3.4 mm? -75.25 144.14 77.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.651 0.262 . . . . 73.13 110.769 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HG2' ' HG2' ' A' ' 112' ' ' MET . 35.5 Cg_endo -67.12 153.43 77.62 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.18 1.92 . . . . 71.23 111.316 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.37 -15.63 46.03 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.494 2.129 . . . . 70.03 112.419 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.37 -37.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 63.04 111.007 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.553 ' HE3' HG13 ' A' ' 90' ' ' ILE . 57.5 mmm -60.61 -44.24 96.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.354 0.597 . . . . 53.4 111.29 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -90.16 -17.29 27.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.555 -0.748 . . . . 72.33 110.125 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 . . . . . 0 C--O 1.238 0.489 0 CA-C-N 115.162 -0.927 . . . . 75.44 110.906 -173.723 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 112.206 0.447 . . . . 71.5 112.206 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 112' ' ' MET . 37.7 m95 -89.06 -17.11 29.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.369 -0.378 . . . . 75.41 111.618 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.52 125.79 24.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.655 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.714 HD12 HG13 ' A' ' 90' ' ' ILE . 79.1 mt -93.49 108.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.155 0.502 . . . . 73.35 110.821 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' HB ' ' OE1' ' A' ' 31' ' ' GLU . 2.8 m -77.35 168.32 20.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.532 -0.758 . . . . 71.4 110.069 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.16 -27.85 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 72.31 110.355 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.61 -53.4 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.571 . . . . 74.23 110.397 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HG2' ' HE3' ' A' ' 93' ' ' LYS . 2.0 mp0 -59.3 -35.73 74.31 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.733 0.301 . . . . 72.23 110.652 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 51.7 ttp180 -62.54 -44.07 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.306 -0.406 . . . . 75.12 110.367 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.6 66.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.113 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 21.0 mmtp -61.1 -25.87 67.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.054 0.761 . . . . 75.2 113.054 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 2.5 p80 -55.8 -36.06 67.01 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.933 -0.395 . . . . 75.4 109.933 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.84 -48.55 76.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.723 -0.671 . . . . 74.11 111.487 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.52 -50.31 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 75.4 110.537 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.1 -32.76 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 64.34 111.086 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 10.5 t80 -70.91 -36.84 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.29 0.567 . . . . 73.21 109.936 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.506 -0.77 . . . . 72.22 110.386 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -72.01 -21.34 61.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.392 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -72.86 -15.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.41 109.916 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 63.18 71.66 0.63 Allowed Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.41 -0.814 . . . . 72.42 110.849 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.17 156.96 63.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.832 2.354 . . . . 75.22 111.875 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 45' ' ' ILE . 3.3 mp -75.69 -63.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.022 0.439 . . . . 71.42 110.117 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -120.72 27.33 8.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.482 0.658 . . . . 62.12 110.444 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 2.16 64.29 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.767 -0.73 . . . . 54.44 111.305 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.77 163.25 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.941 0.4 . . . . 74.54 110.131 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.51 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 45.1 pt -135.95 -166.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 74.2 109.316 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -148.8 175.52 11.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.851 -0.426 . . . . 73.05 109.851 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.22 95.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.506 -0.378 . . . . 75.0 113.707 -172.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 37.1 t70 -62.98 -35.17 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.41 . . . . 72.11 111.271 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.4 -34.0 58.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.968 0.413 . . . . 72.24 110.515 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.83 77.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 62.31 111.722 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 17.0 ptt180 -60.73 -33.17 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.736 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.6 -40.79 93.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.882 0.372 . . . . 75.33 110.999 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.555 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . 61.8 t80 -64.41 -49.26 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.931 0.396 . . . . 72.41 110.845 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HE2' ' HE3' ' A' ' 83' ' ' MET . 13.5 m-85 -66.24 -33.86 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 74.45 110.672 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' HD1' HD13 ' A' ' 68' ' ' LEU . 57.3 t80 -65.6 -31.3 72.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.587 . . . . 74.12 109.8 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -11.93 60.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.584 -0.734 . . . . 55.2 110.193 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 m -84.75 -7.18 59.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 74.22 110.9 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.49 7.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 54.02 112.516 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 60.7 mt -117.25 144.52 34.0 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.599 0.238 . . . . 74.2 110.548 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 15.9 Cg_exo -68.27 152.67 75.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.017 2.478 . . . . 75.04 112.38 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.53 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.9 mp0 -54.44 -48.8 93.82 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.879 0.696 . . . . 75.1 112.879 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.1 Cg_exo -56.28 -30.19 79.47 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.86 1.706 . . . . 72.32 112.378 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 71' ' ' ILE . 57.7 t -81.05 -39.25 17.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 75.14 110.279 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 80.8 mt -55.25 -49.37 72.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 75.44 110.562 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.78 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.045 -0.98 . . . . 63.24 111.118 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -73.24 -41.0 64.21 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.419 -0.355 . . . . 75.34 110.738 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.71 HG22 HD13 ' A' ' 95' ' ' ILE . 2.3 mt -65.66 -46.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 64.4 110.718 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.635 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 23.4 t90 -62.8 -43.97 97.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.058 -0.519 . . . . 74.44 110.731 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.8 -12.55 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.435 . . . . 73.45 111.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.992 HD21 ' HG ' ' A' ' 108' ' ' LEU . 14.8 mt -95.55 -33.73 12.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.904 -0.589 . . . . 55.55 111.723 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.544 ' HB2' ' HE2' ' A' ' 83' ' ' MET . . . -64.73 -70.65 0.22 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.381 -0.372 . . . . 71.44 110.663 -175.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.732 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 9.5 p-10 -84.94 91.08 7.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.797 0.808 . . . . 75.23 109.153 174.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.7 mtm -55.06 -28.7 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.46 -1.245 . . . . 73.54 111.918 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.11 -12.5 61.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 75.24 110.625 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER 52.62 66.25 1.28 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.764 -0.653 . . . . 73.13 109.417 -174.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.57 -25.35 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.508 -0.769 . . . . 74.21 109.232 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.635 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 87.29 29.05 23.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.308 -0.86 . . . . 64.53 112.252 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -135.3 -40.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.536 0.198 . . . . 65.31 111.536 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.548 ' HE3' ' HE2' ' A' ' 58' ' ' PHE . 38.4 ttm 58.57 91.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.935 0.772 . . . . 72.1 110.811 -176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.64 -166.25 1.25 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.421 0.629 . . . . 63.44 110.987 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.407 -0.815 . . . . 71.5 112.645 -169.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.49 -36.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.097 -0.641 . . . . 73.31 110.441 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.732 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 3.3 mp0 -68.05 -41.53 81.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.439 . . . . 64.52 110.507 176.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD2' ' HD2' ' A' ' 39' ' ' PHE . 54.0 t80 -65.35 -30.45 71.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.757 0.313 . . . . 62.55 110.526 175.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.6 m -64.48 -43.65 93.48 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.046 0.45 . . . . 73.23 110.868 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.714 HG13 HD12 ' A' ' 27' ' ' ILE . 16.8 tt -71.43 -19.58 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.046 -0.525 . . . . 75.43 110.957 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.47 -14.73 60.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 72.42 111.679 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.781 ' HE1' ' HA ' ' A' ' 92' ' ' MET . 2.4 tpt -57.78 -41.5 82.16 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.014 0.435 . . . . 72.34 110.994 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 31' ' ' GLU . 28.3 mmtp -80.18 -26.05 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 74.44 111.225 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 71' ' ' ILE . 31.9 tp -73.47 -52.47 13.55 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.442 -0.345 . . . . 74.22 111.435 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.71 HD13 HG22 ' A' ' 71' ' ' ILE . 50.4 mm -56.94 -41.43 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.115 -0.493 . . . . 75.54 111.035 -177.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 52.3 tttp -62.12 -47.67 83.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 74.33 110.549 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 97' ' ' LEU . 4.4 mm? -71.45 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 73.52 111.64 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HG3' HD13 ' A' ' 71' ' ' ILE . 18.5 mmtm -71.63 -36.34 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.395 . . . . 61.43 110.434 175.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.29 -11.46 59.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 71.51 110.682 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 16.0 mm100 -85.67 -11.64 53.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 70.4 111.022 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.71 -8.06 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.652 -0.785 . . . . 62.33 113.386 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -82.8 150.23 26.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.764 0.792 . . . . 75.44 111.173 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.59 167.18 14.27 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.883 -1.053 . . . . 75.2 110.235 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.8 mt -151.97 154.22 32.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.265 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.478 ' O ' HD22 ' A' ' 74' ' ' LEU . 2.8 Cg_exo -76.72 -163.61 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.43 2.753 . . . . 63.43 111.732 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.2 m -83.43 9.59 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 64.23 111.375 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.06 116.64 23.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.956 -0.565 . . . . 74.15 111.047 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.992 ' HG ' HD21 ' A' ' 74' ' ' LEU . 64.5 mt -83.65 146.21 49.34 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.243 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.441 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 18.9 Cg_endo -60.67 153.59 60.86 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.613 2.209 . . . . 71.33 112.086 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.693 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 25.8 Cg_exo -64.42 -9.23 19.42 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.168 2.578 . . . . 53.4 112.917 -178.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.9 t -80.02 -36.43 16.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 62.02 111.054 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.446 ' CG ' ' HB3' ' A' ' 25' ' ' TRP . 80.6 mtp -74.71 -51.41 14.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.202 0.525 . . . . 65.12 110.469 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.693 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -76.7 -14.91 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 72.12 111.079 -177.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 C--O 1.236 0.35 0 CA-C-N 115.339 -0.846 . . . . 74.45 112.834 173.452 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.958 0.409 . . . . 64.24 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -94.35 1.33 55.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 74.33 111.567 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.02 175.3 6.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.102 -0.499 . . . . 73.52 111.084 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -95.23 118.3 41.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 75.22 109.758 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -109.14 179.27 4.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 75.21 110.459 -177.119 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.509 ' H ' HG23 ' A' ' 28' ' ' THR . 45.1 t -61.15 -29.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.25 -0.648 . . . . 73.2 109.25 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.85 -59.18 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 72.45 110.506 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 93' ' ' LYS . 19.5 mp0 -54.17 -46.16 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.542 . . . . 70.12 110.473 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.35 -38.07 89.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.346 -0.843 . . . . 74.04 111.05 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -43.1 60.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 50.1 111.046 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 46.1 mmtm -67.26 -32.19 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.439 . . . . 73.24 110.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 34.8 t-80 -57.99 -55.35 36.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.092 -0.958 . . . . 74.22 110.758 173.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -55.33 6.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.443 -0.799 . . . . 63.4 112.901 -170.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -63.89 -42.81 97.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.482 0.549 . . . . 75.03 112.482 -172.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -73.95 -38.64 64.18 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.708 -0.397 . . . . 73.1 110.983 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 6.0 t80 -63.17 -41.77 99.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.72 -0.474 . . . . 72.33 109.72 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -60.79 -32.05 71.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.524 -0.762 . . . . 72.32 110.487 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -76.31 -22.32 55.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.634 . . . . 51.24 111.644 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.69 HD12 ' HD1' ' A' ' 57' ' ' PHE . 97.8 mt -79.37 -10.43 59.81 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.7 0.286 . . . . 64.53 110.754 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.773 ' HZ2' ' HB2' ' A' ' 43' ' ' LYS . 8.5 mtmp? 66.33 74.13 0.37 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.562 -0.744 . . . . 75.44 110.379 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 18.6 Cg_endo -60.43 139.91 88.87 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.719 2.279 . . . . 64.03 111.6 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.39 -75.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.782 0.325 . . . . 74.21 110.368 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -113.93 32.68 5.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.311 0.577 . . . . 70.43 110.744 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.85 -9.14 55.05 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.769 -0.729 . . . . 75.34 111.961 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.1 167.68 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.817 0.341 . . . . 74.43 110.294 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 53' ' ' GLN . 30.1 pt -118.23 -172.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.949 -0.76 . . . . 75.04 108.949 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.704 HG21 ' H ' ' A' ' 51' ' ' GLY . 1.2 m -131.19 -174.11 3.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.99 -0.374 . . . . 74.05 109.99 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.704 ' H ' HG21 ' A' ' 50' ' ' THR . . . -53.05 -36.05 50.65 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 114.227 0.451 . . . . 71.13 114.227 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.36 -45.31 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.948 0.374 . . . . 74.03 111.013 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 13.1 mm-40 -74.28 -29.03 61.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.408 -0.36 . . . . 75.33 110.56 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.144 0.497 . . . . 74.0 109.944 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.527 ' HD2' ' HE1' ' A' ' 58' ' ' PHE . 14.1 tpt180 -56.85 -50.47 72.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.495 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -59.81 -37.74 80.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.631 -0.713 . . . . 71.04 111.099 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.69 ' HD1' HD12 ' A' ' 42' ' ' LEU . 74.7 t80 -55.07 -52.68 62.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 72.55 112.127 -176.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.527 ' HE1' ' HD2' ' A' ' 55' ' ' ARG . 2.9 p90 -86.99 -20.71 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.046 -0.662 . . . . 75.51 111.831 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -66.61 -37.63 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 74.2 110.908 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 57' ' ' PHE . 29.6 pt20 -69.2 -9.2 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.382 -0.372 . . . . 53.35 111.683 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 t -80.35 -18.48 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 71.14 110.82 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.06 24.15 38.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 75.51 112.958 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 95' ' ' ILE . 23.8 mt -91.96 150.39 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.784 0.292 . . . . 75.42 110.313 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.7 Cg_exo -57.84 149.52 68.88 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.913 2.409 . . . . 65.44 112.873 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.572 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.1 mp0 -53.94 -50.64 82.92 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.392 -0.822 . . . . 72.12 112.591 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 41.5 Cg_exo -57.85 -36.9 98.01 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.927 1.751 . . . . 52.05 112.236 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.69 HG11 ' HD3' ' A' ' 98' ' ' LYS . 95.6 t -66.97 -41.55 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 63.24 110.267 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 58' ' ' PHE . 79.9 mt -62.67 -47.68 82.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 74.41 110.484 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.12 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.395 -0.82 . . . . 54.13 111.164 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 1.4 mm100 -67.02 -41.21 87.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 73.33 111.233 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.567 HD13 HG12 ' A' ' 95' ' ' ILE . 52.5 mt -62.05 -44.65 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 62.13 110.813 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.542 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.3 t90 -67.52 -47.62 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 73.41 110.819 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.08 -27.8 69.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.144 0.497 . . . . 74.15 110.966 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -76.69 -32.68 58.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.67 . . . . 74.41 111.111 176.162 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . . . -62.93 -64.89 0.78 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.958 -172.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 4.7 p30 -85.84 99.85 11.66 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.946 0.879 . . . . 74.41 109.783 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 mtm -47.56 -30.07 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.305 -1.316 . . . . 71.54 112.805 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -90.19 -10.41 44.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.661 0.267 . . . . 75.24 110.941 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER 58.87 75.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.815 -1.18 . . . . 65.52 107.815 -166.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.591 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 28.4 t70 -84.22 -38.73 20.18 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.922 -1.036 . . . . 72.14 109.349 -174.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.542 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.54 -4.75 82.44 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.603 -0.726 . . . . 64.02 112.607 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -108.12 -42.14 4.73 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.009 -0.277 . . . . 73.24 111.064 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.406 ' HE1' ' CD1' ' A' ' 72' ' ' TRP . 54.1 ttm 62.55 94.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.377 -0.828 . . . . 70.4 111.652 -176.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 22.2 t70 -85.07 177.7 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.744 -0.836 . . . . 73.43 108.744 172.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 mm-40 -50.62 -34.81 27.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.398 0.518 . . . . 74.4 112.398 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.45 -57.09 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.998 -0.281 . . . . 72.13 110.788 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 1.9 mp0 -61.81 -33.31 73.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.275 0.559 . . . . 73.55 110.306 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.56 -46.01 84.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.429 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.0 m -65.42 -26.66 68.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.791 -0.64 . . . . 55.21 111.623 -175.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 108' ' ' LEU . 12.5 tt -92.68 -6.6 10.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 74.31 111.075 -176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . . . -108.56 -28.94 9.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 53.34 111.422 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 31' ' ' GLU . 26.6 ptt? -56.61 -35.87 68.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 75.31 112.68 -173.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.563 ' HB3' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -97.82 -5.64 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.265 -0.574 . . . . 71.4 111.433 -177.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 71' ' ' ILE . 21.4 tp -64.92 -36.43 84.34 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.848 -0.797 . . . . 74.54 108.848 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.567 HG12 HD13 ' A' ' 71' ' ' ILE . 36.8 mt -54.52 -42.62 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.149 -1.387 . . . . 74.53 110.65 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.03 -44.15 97.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 75.22 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.56 -26.7 64.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 75.32 111.247 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.69 ' HD3' HG11 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -75.37 -34.0 61.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.499 -0.319 . . . . 72.41 110.315 176.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.51 -29.3 66.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.163 -0.471 . . . . 64.51 110.623 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.05 -11.35 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 64.22 111.537 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.09 40.55 16.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.832 -0.699 . . . . 62.4 112.765 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -96.42 178.07 5.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.032 -0.358 . . . . 75.51 110.032 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.41 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 26.9 mt-30 -61.67 159.76 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.472 0.653 . . . . 71.33 112.006 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -113.86 86.18 10.69 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 72.01 110.125 175.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 103' ' ' GLN . 4.8 Cg_exo -74.07 177.3 8.38 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.983 2.455 . . . . 50.23 112.936 -174.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 p -122.96 -1.03 8.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.568 0.699 . . . . 73.33 110.493 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -120.98 143.12 49.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.955 -1.02 . . . . 74.34 110.344 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 90' ' ' ILE . 87.9 mt -87.16 147.74 43.29 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.006 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 9.3 Cg_exo -72.17 151.99 55.72 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.531 2.154 . . . . 71.22 111.835 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 7.6 Cg_exo -74.34 -11.79 22.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.947 2.431 . . . . 74.21 112.687 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 t -82.91 -31.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.71 -0.677 . . . . 63.33 111.371 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.566 ' HE1' ' HA ' ' A' ' 90' ' ' ILE . 47.9 mtp -75.06 -29.27 60.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.922 0.391 . . . . 64.12 110.986 -177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -82.06 -16.25 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.442 -0.577 . . . . 75.12 109.442 174.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.235 0.34 0 CA-C-N 115.155 -0.93 . . . . 75.32 112.125 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.341 0.591 . . . . 74.32 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.46 -16.03 53.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.693 -0.685 . . . . 74.25 110.259 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.23 162.72 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 72.32 110.875 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.5 mt -97.46 83.93 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.397 0.618 . . . . 63.01 110.563 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -67.94 163.85 21.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.49 -0.777 . . . . 72.4 109.193 174.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 p -55.37 -35.02 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.139 0.495 . . . . 54.43 110.719 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.78 -38.67 89.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.706 -0.679 . . . . 73.41 110.712 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 15.3 mm-40 -73.64 -30.46 62.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 53.24 110.617 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -47.79 80.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.349 -0.611 . . . . 74.55 109.349 170.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -16.25 47.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.546 -0.752 . . . . 63.01 112.237 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 30.0 mmtm -60.42 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.734 0.302 . . . . 65.53 110.92 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 12.0 p-80 -76.87 -29.13 55.67 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.68 -0.408 . . . . 71.4 111.654 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.46 -44.46 71.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.75 0.31 . . . . 52.13 110.594 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -77.01 -54.85 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.14 111.86 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.89 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.967 0.358 . . . . 63.44 111.967 -174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HE1' HG23 ' A' ' 49' ' ' ILE . 17.1 t80 -64.01 -37.91 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.213 0.53 . . . . 74.45 110.268 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.87 -35.11 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.767 -0.651 . . . . 64.32 110.051 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -75.92 -18.85 59.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.998 -0.546 . . . . 75.43 111.35 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -83.0 4.03 27.65 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.682 0.277 . . . . 73.43 111.025 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 57.63 77.65 0.4 Allowed Pre-proline 0 N--CA 1.463 0.214 0 CA-C-N 116.035 -0.53 . . . . 71.53 111.081 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 39.5 Cg_endo -71.91 137.67 29.91 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.008 1.805 . . . . 62.34 111.654 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.5 mm -93.79 110.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 68.65 -74.08 0.08 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.95 0.781 . . . . 72.22 110.609 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.63 31.66 0.17 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.261 -0.736 . . . . 64.1 111.261 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.661 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 38.5 p90 -152.58 173.79 14.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.869 0.366 . . . . 74.21 111.042 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.501 HG23 ' HE1' ' A' ' 39' ' ' PHE . 22.0 pt -136.59 -169.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 74.13 109.711 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.5 t -147.85 167.88 23.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.998 -0.371 . . . . 73.42 109.998 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.92 -35.6 64.17 Favored Glycine 0 C--N 1.333 0.369 0 O-C-N 123.554 0.534 . . . . 60.3 112.521 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.22 -52.91 63.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.752 0.31 . . . . 73.44 111.293 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 55.21 110.543 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -55.5 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.574 . . . . 72.14 110.777 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -63.91 -33.99 76.94 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.517 -0.31 . . . . 74.34 111.017 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 25.7 t-20 -64.47 -49.56 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 64.22 110.566 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HB2' HD23 ' A' ' 42' ' ' LEU . 61.8 t80 -62.55 -48.0 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 72.3 110.91 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.64 ' HB3' HD21 ' A' ' 68' ' ' LEU . 18.4 m-30 -57.48 -47.52 81.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 62.21 110.654 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -65.08 -32.18 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 74.51 110.996 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.429 HE21 ' HB3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -59.9 -27.63 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 75.02 111.662 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.763 ' HB2' HD13 ' A' ' 99' ' ' LEU . 96.5 p -73.35 -24.2 60.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.99 0.424 . . . . 71.44 110.827 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.15 -1.18 20.97 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.942 -0.647 . . . . 74.31 112.416 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 67' ' ' VAL . 95.9 mt -80.78 142.6 52.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.588 0.232 . . . . 75.35 110.392 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.582 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 4.4 Cg_exo -83.22 169.59 12.63 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.485 2.79 . . . . 72.41 112.856 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.2 mp0 -48.86 -50.48 61.27 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 113.343 0.868 . . . . 72.04 113.343 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 52.4 Cg_exo -57.38 -16.99 25.0 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.396 2.064 . . . . 72.13 113.297 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 63' ' ' LEU . 44.5 t -98.3 -35.55 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 72.43 110.473 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 58' ' ' PHE . 27.2 mt -62.16 -56.49 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.647 . . . . 70.43 110.722 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.26 71.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.538 -0.756 . . . . 73.44 110.491 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' NE2' HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -66.1 -39.49 90.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.896 -0.593 . . . . 74.35 110.882 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.1 mt -70.01 -44.17 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 70.52 110.154 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.508 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 24.2 t90 -62.37 -49.54 75.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 74.51 111.074 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.03 69.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 64.22 111.193 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.631 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -73.85 -47.68 36.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 74.52 111.04 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -82.59 -30.15 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 64.32 112.467 -172.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 79' ' ' ASN . 41.0 t0 -77.31 85.85 3.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.563 -0.532 . . . . 73.43 109.563 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.824 ' HE3' ' HG3' ' A' ' 87' ' ' GLU . 2.2 mpp? -51.43 -53.16 39.74 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.29 0.848 . . . . 65.34 113.29 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -91.85 -6.76 51.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 75.41 110.575 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.621 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.2 t-20 54.9 71.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 71.11 109.8 -173.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 3.8 t70 -78.38 -26.4 46.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.414 -1.266 . . . . 70.22 110.003 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.508 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 98.72 -23.09 37.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.657 -0.782 . . . . 63.44 111.44 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.468 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -111.56 -29.2 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.253 -0.647 . . . . 74.41 109.253 175.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.627 ' HE3' ' HD1' ' A' ' 88' ' ' PHE . 39.8 ttp 69.48 107.98 0.06 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.511 1.132 . . . . 74.12 110.671 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.5 t70 -67.37 160.87 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 70.21 110.416 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.661 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 18.9 mm-40 -60.1 -28.7 68.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.052 -0.522 . . . . 64.24 112.175 -172.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' SER . 61.8 t -70.24 -48.3 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.343 . . . . 61.35 110.272 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.824 ' HG3' ' HE3' ' A' ' 77' ' ' MET . 13.1 mp0 -63.04 -41.18 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 73.43 110.33 175.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.627 ' HD1' ' HE3' ' A' ' 83' ' ' MET . 72.4 t80 -60.83 -28.98 69.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.769 -0.65 . . . . 75.22 111.13 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 60.7 m -62.11 -34.2 75.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.24 112.06 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.926 HD13 ' HB3' ' A' ' 112' ' ' MET . 15.2 tt -81.78 -20.72 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 120.996 0.427 . . . . 74.24 111.03 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . . . -78.88 -16.25 57.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 75.43 111.2 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.816 ' HE1' ' HA ' ' A' ' 92' ' ' MET . 2.8 mmt -58.93 -42.0 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 51.45 112.033 -175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -78.47 -31.56 47.96 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.631 -0.428 . . . . 74.34 110.872 -178.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.611 HD22 HD12 ' A' ' 74' ' ' LEU . 2.0 mp -58.84 -44.76 91.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 112.226 0.454 . . . . 71.14 112.226 -173.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 58' ' ' PHE . 45.0 mt -57.92 -53.82 40.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 75.14 110.637 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.0 mmtt -71.04 -28.98 64.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 65.14 111.072 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.656 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 14.0 tp -73.67 -36.73 65.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.252 . . . . 71.32 110.442 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 102' ' ' TYR . 8.8 mtpm? -71.68 -33.11 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.869 -0.333 . . . . 73.11 110.363 177.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.763 HD13 ' HB2' ' A' ' 61' ' ' SER . 90.1 mt -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 55.14 110.445 175.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 80.4 mt-30 -78.69 -20.19 50.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.185 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.72 -11.73 6.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.234 -0.984 . . . . 75.13 113.445 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.656 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 95.2 m-85 -80.93 156.8 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.138 0.469 . . . . 75.12 110.477 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -173.36 134.52 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.081 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.5 mt -139.56 161.96 53.9 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 61.22 109.873 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.01 -168.41 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.915 2.41 . . . . 71.45 112.278 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.631 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 29.1 m -73.79 -3.24 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 64.15 111.272 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.9 97.8 8.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.11 -0.496 . . . . 61.3 110.46 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.404 HD22 HD23 ' A' ' 74' ' ' LEU . 1.9 pp -83.4 151.77 63.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 73.14 110.499 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.49 153.76 72.77 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.639 2.226 . . . . 73.2 112.43 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.9 -23.19 76.46 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.539 . . . . 74.21 112.472 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.26 -26.72 36.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.544 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.926 ' HB3' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -71.77 -49.09 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 63.13 111.439 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -21.95 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.755 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.386 -0.825 . . . . 63.53 109.972 -175.437 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.468 . . . . 73.1 111.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.757 ' HH2' HD11 ' A' ' 104' ' ' LEU . 92.2 m95 -73.76 -17.54 61.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 71.13 110.999 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.56 143.69 42.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.768 -0.651 . . . . 74.31 111.04 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.433 HG12 ' HE3' ' A' ' 93' ' ' LYS . 47.3 mt -110.25 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.306 0.574 . . . . 74.03 109.506 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -87.22 176.53 7.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.421 -0.809 . . . . 65.23 110.371 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.93 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 47.4 t -55.29 -37.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 75.41 111.17 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.4 mp0 -61.12 -47.14 87.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.437 -0.208 . . . . 72.14 110.437 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -68.09 -32.89 73.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.436 -0.347 . . . . 40.45 111.154 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.93 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -72.3 -42.65 65.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.635 -0.426 . . . . 72.51 109.853 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.553 ' N ' ' HG3' ' A' ' 32' ' ' ARG . . . -66.93 -39.3 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.806 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 11.6 tmtt? -57.37 -46.13 83.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 73.05 110.709 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 7.5 p-80 -77.85 -28.35 50.07 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.487 -0.485 . . . . 61.23 110.843 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.05 -45.14 93.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.157 0.503 . . . . 71.04 110.017 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.47 -44.4 84.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.531 -0.759 . . . . 61.03 110.521 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.432 HE21 ' HA ' ' A' ' 35' ' ' HIS . 18.5 mt-30 -73.18 -28.07 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.76 . . . . 75.31 111.202 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -34.82 79.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.86 -0.793 . . . . 74.23 108.86 175.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.89 -37.16 86.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 72.4 110.224 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 m -75.19 -16.45 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 74.34 111.89 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD21 ' O ' ' A' ' 42' ' ' LEU . 2.7 tt -69.66 -21.66 63.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.036 -0.727 . . . . 73.53 109.036 174.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mppt? 63.94 75.95 0.36 Allowed Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 115.027 -0.988 . . . . 73.35 110.645 -172.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.33 139.17 53.66 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.477 2.118 . . . . 73.42 111.368 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.57 -54.62 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 71.52 110.605 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -156.16 50.32 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.909 -0.587 . . . . 73.12 109.557 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 6.8 68.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 74.42 112.267 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -143.37 165.65 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.449 . . . . 71.33 109.786 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.31 175.45 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 72.03 109.923 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.586 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 11.5 p -133.35 -177.07 4.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 75.34 110.451 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.16 -37.16 93.5 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.146 -0.55 . . . . 73.41 112.523 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.64 -35.66 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.048 0.452 . . . . 72.54 110.27 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HB2' ' H ' ' A' ' 50' ' ' THR . 2.8 mp0 -67.46 -40.16 85.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 73.34 110.43 176.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.466 ' O ' ' HD1' ' A' ' 58' ' ' PHE . . . -64.41 -46.29 83.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 71.33 109.765 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.07 -49.82 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 73.2 110.936 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -64.04 -38.53 91.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.108 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.556 ' HZ ' ' HE3' ' A' ' 92' ' ' MET . 70.2 t80 -65.52 -51.46 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.576 -0.283 . . . . 73.12 110.924 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.466 ' HD1' ' O ' ' A' ' 54' ' ' ALA . 29.8 m-85 -60.43 -40.29 90.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.359 -0.382 . . . . 75.21 111.308 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -65.79 -31.17 72.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 74.12 110.721 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.18 5.39 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.762 -0.654 . . . . 71.12 111.619 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -85.89 -46.96 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.911 -0.493 . . . . 72.35 111.104 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.76 -3.61 29.02 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.932 -0.651 . . . . 72.55 111.806 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.86 150.27 58.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.432 -0.21 . . . . 70.15 110.432 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HG2' ' CG2' ' A' ' 67' ' ' VAL . 24.3 Cg_endo -64.13 153.57 75.55 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.332 2.022 . . . . 71.5 111.873 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -58.62 -45.08 99.68 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.825 0.676 . . . . 73.43 112.825 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 81.3 Cg_exo -51.67 -41.07 63.39 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.848 1.699 . . . . 73.1 112.218 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 98' ' ' LYS . 56.0 t -70.15 -40.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 74.35 110.62 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.21 -45.82 92.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.9 -0.591 . . . . 74.2 110.736 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.24 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 65.43 111.168 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -46.38 85.12 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.3 -0.63 . . . . 64.43 109.3 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 95' ' ' ILE . 96.9 mt -65.67 -42.89 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.764 -0.653 . . . . 75.42 110.67 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.426 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 20.4 t90 -64.64 -43.99 91.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 72.53 111.226 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 -27.84 68.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 75.03 110.636 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.837 HD21 ' HG ' ' A' ' 108' ' ' LEU . 2.3 mt -76.39 -48.4 19.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.56 -0.746 . . . . 75.02 111.106 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . . . -72.25 -44.25 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 74.12 112.057 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.694 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 19.9 t0 -76.81 77.85 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.485 -0.931 . . . . 74.04 108.485 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -67.86 -45.88 73.33 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.053 -0.976 . . . . 72.1 111.676 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -76.38 -12.57 60.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.607 -0.516 . . . . 62.35 109.607 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.694 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 47.23 71.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.3 -1.318 . . . . 74.21 112.085 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -91.92 -21.9 20.33 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.553 -0.749 . . . . 73.55 109.85 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.81 -6.13 73.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.876 -0.678 . . . . 71.04 112.612 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -18.68 13.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.822 -0.222 . . . . 75.25 111.433 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.433 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 48.0 ttm 61.18 101.14 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.678 0.752 . . . . 64.21 111.975 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 17.5 t70 -73.14 168.09 19.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.706 -0.679 . . . . 63.43 109.614 176.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.26 -24.83 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.714 -0.221 . . . . 74.14 110.75 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.53 -43.98 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.009 0.433 . . . . 71.32 109.97 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 5.0 mm-40 -68.54 -37.74 80.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 73.12 109.941 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -70.31 -28.66 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.546 . . . . 74.35 110.843 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.3 t -59.18 -32.68 70.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 63.32 110.839 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.433 HG13 ' HE3' ' A' ' 112' ' ' MET . 14.8 tt -96.65 -12.86 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 64.23 110.504 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . . . -76.77 -36.66 56.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.992 -0.549 . . . . 65.1 112.101 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.556 ' HE3' ' HZ ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -66.81 -27.22 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 75.32 110.772 -174.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' HE3' HG12 ' A' ' 27' ' ' ILE . 51.5 mmtt -59.83 -48.8 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 70.41 110.403 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.487 HD12 ' HG ' ' A' ' 104' ' ' LEU . 1.3 mp -69.24 -39.65 78.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 74.13 112.191 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.598 HD13 HD11 ' A' ' 71' ' ' ILE . 38.0 mm -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.112 0.482 . . . . 70.4 110.264 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -71.38 -38.76 71.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.695 -0.684 . . . . 73.5 110.3 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.4 tp -66.59 -41.55 88.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 75.42 111.459 -175.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 67' ' ' VAL . 25.6 mtpp -71.62 -27.33 63.03 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.59 -0.444 . . . . 64.51 111.348 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.76 -34.62 74.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.984 0.421 . . . . 74.3 110.588 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -75.47 -25.96 57.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 75.22 110.535 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.12 45.75 0.67 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.538 -0.839 . . . . 63.34 113.344 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.459 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 47.7 m-85 -110.22 159.09 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.037 0.446 . . . . 74.23 110.718 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.431 ' C ' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -116.08 145.45 43.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 65.04 111.362 -178.028 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.757 HD11 ' HH2' ' A' ' 25' ' ' TRP . 3.0 mm? -132.14 145.19 56.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 74.31 111.101 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.483 ' O ' HD12 ' A' ' 74' ' ' LEU . 86.2 Cg_endo -87.61 -164.41 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.12 2.547 . . . . 61.31 111.674 172.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.6 m -92.89 10.33 31.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.297 0.57 . . . . 75.42 110.918 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.7 114.51 8.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 71.03 110.725 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.837 ' HG ' HD21 ' A' ' 74' ' ' LEU . 71.8 mt -84.95 156.7 60.68 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.514 -0.312 . . . . 74.53 110.806 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.89 153.56 43.44 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.916 2.411 . . . . 74.54 112.686 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.9 -22.04 27.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 53.13 113.076 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.1 -36.47 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 72.14 111.698 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 59.8 mtp -70.79 -26.61 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 73.4 111.399 -173.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.32 -21.21 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.106 -0.497 . . . . 63.42 111.28 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.548 -0.751 . . . . 75.55 109.789 -171.581 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.3 0.572 . . . . 74.41 110.08 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -106.09 14.29 27.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.596 -0.729 . . . . 75.35 110.926 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.2 173.25 6.39 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.841 -1.072 . . . . 73.23 109.905 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -86.5 92.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.236 0.541 . . . . 73.34 110.094 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -70.59 162.44 28.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.151 -0.932 . . . . 63.15 109.837 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 t -49.96 -47.21 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 122.389 0.276 . . . . 72.33 111.221 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.08 -51.26 70.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.446 -0.343 . . . . 42.33 111.171 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.67 -42.42 78.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 70.13 110.2 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 1.1 tmt_? -58.74 -41.61 86.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.344 -0.844 . . . . 72.14 110.022 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.02 -31.48 50.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.885 0.374 . . . . 71.05 111.297 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -59.02 -40.65 85.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 71.43 112.537 -175.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -57.56 -32.4 67.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.806 0.336 . . . . 71.53 111.39 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.22 -49.29 67.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 72.14 111.138 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -73.79 -31.35 63.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.911 -0.586 . . . . 71.3 111.168 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.8 mm100 -64.88 -40.64 95.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.529 -0.545 . . . . 72.1 109.529 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.51 ' HE1' HD11 ' A' ' 49' ' ' ILE . 32.7 t80 -67.4 -35.82 80.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 72.04 110.092 177.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.85 -41.96 97.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.713 -0.676 . . . . 73.31 109.919 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -75.27 -17.88 60.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.035 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD13 HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -64.9 -21.02 66.74 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.074 0.464 . . . . 70.3 109.808 178.151 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 66.18 66.78 0.74 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.185 -0.916 . . . . 72.4 110.83 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.46 133.82 27.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.955 1.77 . . . . 72.31 111.237 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.65 -65.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 74.41 110.734 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -101.38 22.88 11.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.205 0.526 . . . . 74.41 110.975 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.33 -2.78 71.55 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.032 -0.827 . . . . 63.23 111.032 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -126.31 169.64 12.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.489 -0.56 . . . . 73.04 109.489 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.666 HG21 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -128.8 -176.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.801 -0.444 . . . . 74.43 109.801 178.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 t -149.46 -177.88 6.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 74.1 109.529 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.26 94.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.44 -0.409 . . . . 71.34 112.696 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.38 -36.34 83.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.705 0.288 . . . . 74.34 111.331 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.91 -46.38 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.558 0.218 . . . . 75.3 110.566 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.74 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.324 0.583 . . . . 53.21 110.242 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.58 -42.5 64.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.907 -1.042 . . . . 74.14 111.483 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -75.77 -48.66 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.296 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 78.4 t80 -58.26 -47.14 84.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.538 -0.301 . . . . 74.52 111.748 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.934 ' HB3' HD21 ' A' ' 68' ' ' LEU . 3.6 m-85 -59.66 -42.31 92.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 74.52 110.444 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -70.92 -34.9 71.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.532 . . . . 73.51 110.347 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -22.45 64.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.759 . . . . 73.33 110.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m -70.23 -18.99 63.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.046 -0.524 . . . . 73.42 111.093 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.19 21.88 9.67 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.559 -0.829 . . . . 41.41 112.859 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 99' ' ' LEU . 87.6 mt -111.57 143.79 29.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 110.413 -0.218 . . . . 75.14 110.413 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 22.4 Cg_exo -66.08 153.55 77.65 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.749 2.3 . . . . 72.01 111.929 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.526 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.0 tt0 -57.03 -46.45 99.87 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.091 0.774 . . . . 74.41 113.091 -175.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 12.4 Cg_endo -57.42 -24.35 60.33 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.053 1.835 . . . . 75.41 112.11 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.775 HG12 ' HE2' ' A' ' 98' ' ' LYS . 77.1 t -80.6 -38.86 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 74.3 109.952 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.934 HD21 ' HB3' ' A' ' 58' ' ' PHE . 53.3 mt -63.24 -50.58 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.264 -0.88 . . . . 73.43 111.086 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.79 65.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 61.5 111.822 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -67.51 -37.52 82.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.342 -0.39 . . . . 64.31 111.072 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.709 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.8 mt -69.49 -47.38 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 74.53 109.903 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.432 ' HD1' ' SD ' ' A' ' 83' ' ' MET . 22.1 t90 -62.04 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.275 -0.875 . . . . 73.54 111.278 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.19 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 62.42 111.308 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 HD23 ' A' ' 108' ' ' LEU . 23.3 mt -84.73 -31.34 24.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 74.15 111.682 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . . . -63.96 -59.15 4.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.214 -0.903 . . . . 55.4 112.536 -172.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.836 ' HB3' ' HG2' ' A' ' 83' ' ' MET . 39.1 p-10 -78.06 95.44 4.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 122.108 0.956 . . . . 73.35 110.303 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.4 mtm -59.83 -30.26 68.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.895 -1.048 . . . . 54.32 111.011 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -84.89 -11.96 54.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 61.13 110.27 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.0 t-20 47.74 62.71 2.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.161 -0.927 . . . . 64.03 111.374 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.5 -17.53 17.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 73.33 110.53 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.3 4.8 66.05 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.679 -0.772 . . . . 64.42 113.313 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -121.06 -41.61 2.53 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 117.458 0.629 . . . . 71.31 110.733 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.836 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 62.4 mtm 69.73 130.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.226 0.954 . . . . 74.23 111.624 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.55 -178.62 4.19 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.168 -1.049 . . . . 63.4 108.168 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.23 -25.67 67.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.568 0.223 . . . . 62.22 110.616 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.22 -54.05 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 60.45 110.275 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 21.1 mp0 -65.36 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 53.25 110.671 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.58 -31.01 67.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 73.2 110.822 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.3 t -64.15 -26.87 68.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.849 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.403 HD13 HD11 ' A' ' 108' ' ' LEU . 15.5 tt -96.5 -23.66 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.955 0.407 . . . . 71.41 110.264 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.613 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -70.62 -36.8 73.68 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.126 -0.488 . . . . 42.22 111.716 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.072 0.463 . . . . 63.04 110.823 -177.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -67.53 -42.74 82.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 74.44 109.467 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 71' ' ' ILE . 3.0 tp -69.67 -37.39 76.67 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.845 -0.616 . . . . 74.51 110.72 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 91' ' ' ALA . 56.9 mt -59.51 -46.67 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.865 -0.42 . . . . 72.03 109.865 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.2 -48.53 81.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 74.11 111.289 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.67 -42.26 86.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.296 -0.411 . . . . 71.43 111.771 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.775 ' HE2' HG12 ' A' ' 67' ' ' VAL . 41.3 mtpt -73.39 -26.82 61.15 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.46 -0.496 . . . . 75.21 111.149 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.502 ' HA ' HD21 ' A' ' 63' ' ' LEU . 25.5 mt -61.19 -31.35 71.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.822 0.344 . . . . 74.33 110.562 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.64 -25.12 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.598 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 113.4 53.14 0.47 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 38.49 113.144 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -126.9 157.08 40.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.067 -0.346 . . . . 75.05 110.067 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.52 133.7 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.268 -0.424 . . . . 74.0 110.474 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 mp -131.63 144.7 54.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.503 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.554 ' O ' HD11 ' A' ' 74' ' ' LEU . 87.4 Cg_endo -86.36 -164.76 0.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.14 2.56 . . . . 75.34 111.466 173.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 74' ' ' LEU . 19.4 m -72.64 -0.46 13.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 75.11 111.634 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.53 82.09 8.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.002 0.429 . . . . 73.13 110.674 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -75.77 139.46 70.22 Favored Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 108.831 -0.803 . . . . 73.34 108.831 177.045 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.571 ' HD2' HD12 ' A' ' 108' ' ' LEU . 34.5 Cg_exo -62.34 152.15 78.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.154 1.902 . . . . 74.41 112.489 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.29 -14.62 14.69 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.48 2.12 . . . . 64.3 112.227 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.89 -40.91 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.382 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 69.8 mmm -61.38 -43.43 98.88 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.044 0.45 . . . . 53.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 9.7 ptmt -89.6 -13.94 36.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 63.44 110.922 -176.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 N--CA 1.466 0.335 0 C-N-CA 124.172 0.989 . . . . 75.33 113.405 175.533 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.406 0.622 . . . . 73.42 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.687 ' CH2' HD21 ' A' ' 104' ' ' LEU . 22.0 m95 -104.56 0.59 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.4 -0.818 . . . . 74.14 111.217 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.37 140.27 30.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.184 -0.916 . . . . 52.53 110.437 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.47 100.24 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 63.32 110.905 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.803 HG22 ' HG2' ' A' ' 31' ' ' GLU . 1.8 t -86.6 177.86 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 73.05 109.941 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.47 -51.86 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 122.28 0.232 . . . . 63.2 111.617 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.08 -41.73 93.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.536 -0.302 . . . . 70.4 110.781 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.803 ' HG2' HG22 ' A' ' 28' ' ' THR . 10.4 mm-40 -62.27 -43.07 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.38 0.609 . . . . 60.43 110.369 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.13 -32.54 73.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.7 -0.682 . . . . 73.03 110.685 -176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.65 -17.95 34.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.487 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HB3' ' SD ' ' A' ' 92' ' ' MET . 46.2 tptt -59.51 -43.24 93.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 75.32 111.946 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.0 p-80 -57.45 -34.66 69.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.431 -0.35 . . . . 75.32 111.864 -174.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.59 -45.46 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.162 0.506 . . . . 62.43 110.585 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -50.18 73.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.246 -0.888 . . . . 64.43 109.872 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.38 -43.22 95.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.32 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -58.27 -37.16 74.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.063 0.459 . . . . 65.11 110.543 -178.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.06 -41.32 95.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.846 -0.616 . . . . 74.24 110.443 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 t -77.48 -18.87 56.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.851 -0.613 . . . . 74.3 111.593 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -0.76 15.96 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.407 0.521 . . . . 74.23 112.407 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 68.86 68.27 0.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.422 -0.808 . . . . 73.12 110.855 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.59 124.08 8.0 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.407 1.405 . . . . 73.5 111.403 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -53.8 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.478 -0.783 . . . . 74.53 109.435 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -146.92 -46.9 0.18 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.272 -1.01 . . . . 74.4 108.272 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.06 37.22 0.33 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.186 -1.166 . . . . 73.14 110.186 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -139.97 156.74 46.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.396 -0.402 . . . . 74.34 110.68 -173.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -136.76 166.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.827 -0.805 . . . . 75.14 108.827 170.628 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -141.13 168.98 18.49 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.121 -0.231 . . . . 64.22 110.873 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.67 -34.57 82.58 Favored Glycine 0 C--N 1.334 0.453 0 O-C-N 123.359 0.412 . . . . 62.04 112.524 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.76 -53.06 61.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.721 0.296 . . . . 64.11 111.511 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -70.65 -31.23 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 73.44 110.331 -178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.54 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 109.969 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.685 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 96.0 mtt180 -60.03 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 72.31 110.971 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.2 -39.46 79.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 63.33 111.167 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.87 -59.21 5.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.731 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.685 ' CE1' ' HA ' ' A' ' 55' ' ' ARG . 1.3 p90 -75.85 -17.35 59.85 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.011 -0.676 . . . . 74.31 111.748 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -40.7 97.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.621 -0.511 . . . . 74.34 109.621 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.99 -8.65 57.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.786 -0.643 . . . . 61.42 111.266 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 58' ' ' PHE . 20.1 m -77.12 -19.99 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.953 0.406 . . . . 75.04 110.439 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.74 23.87 34.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.43 113.311 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HB2' HD22 ' A' ' 68' ' ' LEU . 68.1 mt -95.36 148.34 34.48 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.84 -0.43 . . . . 73.03 109.84 175.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.537 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 39.2 Cg_exo -62.15 153.1 71.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.948 2.432 . . . . 65.51 112.241 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.1 mt-30 -52.23 -51.21 74.17 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 112.868 0.692 . . . . 75.31 112.868 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 11.6 Cg_endo -56.27 -35.01 95.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.132 1.888 . . . . 73.31 112.046 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 HG11 ' HD3' ' A' ' 98' ' ' LYS . 68.4 t -74.27 -39.08 48.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.982 -0.554 . . . . 74.13 110.448 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 83.7 mt -62.01 -51.62 67.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.777 -0.647 . . . . 73.24 110.532 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -32.28 71.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 75.22 110.712 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.717 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.65 -34.78 78.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.459 178.38 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.809 HG13 ' HD2' ' A' ' 98' ' ' LYS . 55.5 mt -66.03 -51.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.725 0.298 . . . . 64.33 110.436 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -66.5 -41.46 88.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.128 -0.487 . . . . 75.03 111.126 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.13 66.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 62.31 111.278 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 104' ' ' LEU . 11.6 mt -91.54 -44.36 9.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 73.24 111.225 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . . . -67.38 -34.07 76.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 74.03 111.423 -176.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.707 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -75.28 76.78 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.417 -0.957 . . . . 71.22 108.417 174.433 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.75 -44.57 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 74.2 111.794 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -81.17 -14.82 57.22 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.935 -0.765 . . . . 75.52 108.935 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.707 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.6 t-20 42.95 74.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.281 -1.327 . . . . 55.12 113.433 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -102.44 -10.38 19.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.45 0.643 . . . . 72.43 109.598 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.98 18.79 6.67 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.668 -0.777 . . . . 71.32 112.316 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -176.19 134.42 0.25 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.354 0.597 . . . . 74.22 110.404 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.0 ptp -84.91 128.78 34.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.752 -1.113 . . . . 73.31 111.271 -175.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 38.7 t70 -90.15 -179.35 5.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 74.13 109.124 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.403 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 1.8 mp0 -55.54 -37.21 67.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.882 0.31 . . . . 73.2 111.247 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.73 -37.64 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.63 -0.259 . . . . 64.4 111.222 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 90' ' ' ILE . 6.8 mm-40 -73.74 -41.83 61.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.274 0.559 . . . . 73.44 110.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.1 -28.03 69.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 75.35 110.663 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -60.88 -15.2 27.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.829 -0.623 . . . . 70.44 111.585 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.756 HD13 ' HB3' ' A' ' 112' ' ' MET . 14.9 tt -104.54 -20.95 5.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.922 0.392 . . . . 75.31 111.428 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 75' ' ' ALA . . . -67.72 -22.92 65.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.051 0.453 . . . . 73.03 110.968 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.421 ' SD ' ' HB3' ' A' ' 34' ' ' LYS . 25.6 ptt? -48.18 -41.95 28.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.896 -1.047 . . . . 71.31 112.732 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -13.23 21.4 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.773 -0.371 . . . . 64.13 111.669 -173.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.6 mp -70.78 -46.28 63.19 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.799 -0.36 . . . . 73.3 110.819 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.692 HG12 HD11 ' A' ' 71' ' ' ILE . 53.7 mt -64.45 -42.24 94.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.233 0.54 . . . . 73.22 109.546 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.85 -38.02 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.086 -0.961 . . . . 73.0 110.832 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.81 -38.72 27.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 71.24 111.321 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.809 ' HD2' HG13 ' A' ' 71' ' ' ILE . 36.6 mttp -69.4 -30.05 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.958 -0.297 . . . . 73.4 111.498 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.55 -14.13 61.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 61.44 110.557 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -90.87 -5.61 55.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.288 0.566 . . . . 65.04 110.039 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.84 55.41 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.886 -0.597 . . . . 75.32 112.83 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -137.18 162.44 33.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.206 0.527 . . . . 73.22 111.118 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.438 ' C ' HD12 ' A' ' 104' ' ' LEU . 5.0 pm0 -142.59 165.14 28.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.22 -0.9 . . . . 74.22 109.463 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.691 ' HB2' HD12 ' A' ' 74' ' ' LEU . 6.4 mp -140.62 167.08 18.9 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.67 -0.492 . . . . 74.43 109.67 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.5 -169.74 0.51 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.342 2.028 . . . . 72.4 111.31 168.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.1 m -85.53 -4.85 59.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.176 0.513 . . . . 74.31 111.069 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.71 115.56 20.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.069 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.34 155.18 46.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.143 -0.481 . . . . 62.43 110.305 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 152.82 36.24 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.907 2.404 . . . . 72.41 113.328 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -17.4 41.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.142 2.561 . . . . 73.22 112.495 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.44 -26.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.578 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.756 ' HB3' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -74.34 -25.45 59.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.923 -0.581 . . . . 74.41 111.371 -178.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.31 -6.08 17.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 74.12 110.764 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 115.25 -0.886 . . . . 65.2 111.736 -179.249 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 120.76 0.314 . . . . 65.41 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -112.62 -16.3 12.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.614 0.598 . . . . 75.25 112.614 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.23 164.58 21.1 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.47 -0.492 . . . . 44.34 110.495 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.24 96.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 75.34 110.216 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 29' ' ' VAL . 28.0 m -74.75 166.84 22.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.736 -0.665 . . . . 72.12 109.825 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' HG23 ' A' ' 28' ' ' THR . 9.4 p -48.72 -38.02 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 122.665 0.386 . . . . 74.24 111.617 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.07 -55.45 34.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.637 -0.256 . . . . 74.51 111.3 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -34.01 76.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.19 0.519 . . . . 73.33 110.219 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -66.8 -39.91 87.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 74.25 110.277 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 -33.37 47.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.318 -0.401 . . . . 61.13 111.601 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -57.81 -28.09 63.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.335 0.494 . . . . 73.53 112.335 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.59 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -63.0 -26.23 68.76 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.501 -0.48 . . . . 73.41 111.751 -176.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' N ' ' HD2' ' A' ' 35' ' ' HIS . 21.5 t70 -72.49 -49.38 33.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.226 0.536 . . . . 72.31 110.509 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.22 -35.46 78.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.337 -0.847 . . . . 62.31 111.038 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 64.25 110.563 177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 1.0 OUTLIER -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.431 0.634 . . . . 64.41 110.134 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.86 -37.31 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.128 -0.942 . . . . 75.25 111.109 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -76.22 -18.2 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.974 -176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HG ' ' CE2' ' A' ' 88' ' ' PHE . 4.2 mm? -74.34 -11.17 60.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 75.21 111.522 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 59.96 66.29 2.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.614 -0.721 . . . . 70.21 110.244 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.25 129.2 30.46 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.771 2.314 . . . . 61.13 112.841 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 tt -93.4 119.97 42.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.0 -1.0 . . . . 75.55 109.377 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m 63.77 -81.49 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.747 -0.66 . . . . 72.13 110.027 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.43 21.43 0.73 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.283 -0.484 . . . . 37.36 111.999 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.45 -179.2 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.762 0.315 . . . . 72.22 110.422 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.61 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.95 178.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.832 -0.433 . . . . 71.41 109.832 176.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.5 p -126.66 -178.65 4.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.487 -0.324 . . . . 74.51 110.771 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 82' ' ' ARG . . . -69.06 -41.32 81.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.046 -0.597 . . . . 71.11 112.554 -176.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.57 -41.96 98.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.643 0.259 . . . . 73.1 110.451 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.8 -45.67 92.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 61.0 110.498 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -55.22 36.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.825 -0.625 . . . . 52.02 111.143 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 3.5 tmm_? -63.48 -34.93 78.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.589 -176.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.59 -48.1 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 73.33 110.772 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.67 -44.84 95.98 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.293 -0.412 . . . . 73.41 111.313 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.898 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.1 m-30 -55.29 -45.99 76.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 74.11 110.311 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.62 -31.91 69.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 75.51 110.56 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -29.64 70.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.805 -0.634 . . . . 72.33 109.686 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 m -66.09 -29.27 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.879 -0.6 . . . . 73.54 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 6.67 29.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.486 -0.864 . . . . 37.36 113.364 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.19 144.9 39.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.905 0.353 . . . . 75.11 110.323 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.592 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.4 Cg_endo -62.45 154.33 64.98 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.716 2.277 . . . . 74.25 112.548 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.496 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.7 tt0 -55.79 -49.2 94.26 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.184 0.809 . . . . 62.15 113.184 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.8 Cg_endo -55.25 -34.8 89.51 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.988 1.792 . . . . 64.43 112.116 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.562 HG11 ' HD3' ' A' ' 98' ' ' LYS . 59.8 t -74.33 -36.65 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.74 -0.664 . . . . 73.04 110.501 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.898 HD22 ' HB3' ' A' ' 58' ' ' PHE . 58.7 mt -62.12 -50.31 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.118 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.08 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.928 -1.033 . . . . 62.41 110.575 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -46.72 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 73.3 110.343 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.533 ' HA ' HD21 ' A' ' 94' ' ' LEU . 95.4 mt -64.13 -48.75 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.634 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.46 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.2 t90 -65.91 -40.69 91.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 72.24 111.295 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 75.02 110.987 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.779 HD21 ' HG ' ' A' ' 108' ' ' LEU . 14.1 mt -79.43 -46.78 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 71.22 111.075 175.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 91' ' ' ALA . . . -64.54 -50.04 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.705 -0.68 . . . . 64.33 111.75 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -77.64 81.5 4.08 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.252 -0.647 . . . . 64.21 109.252 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.6 mtm -61.03 -30.15 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.979 -1.01 . . . . 74.25 111.25 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.72 -10.69 44.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.746 -0.464 . . . . 73.4 109.746 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.435 HD21 ' HA ' ' A' ' 79' ' ' ASN . 2.2 t-20 53.07 47.54 24.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.266 -0.879 . . . . 75.2 110.266 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.23 -35.0 66.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 71.5 109.834 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 102.55 3.51 50.0 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.569 -0.742 . . . . 73.45 111.662 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 84.8 mtt180 -138.18 -30.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.577 0.227 . . . . 75.25 111.048 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.407 ' HE2' ' HZ ' ' A' ' 58' ' ' PHE . 75.3 mtm 68.35 150.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.266 0.979 . . . . 65.24 111.316 -173.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 12.9 t70 -107.83 -167.85 1.3 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.307 -0.997 . . . . 71.34 108.307 175.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.446 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.5 mm-40 -70.52 -27.66 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.035 0.445 . . . . 65.04 110.254 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.64 -55.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 65.2 110.148 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.62 -32.78 74.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 73.41 110.943 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 58.6 t80 -69.41 -39.65 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 74.41 110.501 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 t -60.53 -37.75 82.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 74.52 110.536 -176.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.499 HG13 ' HE1' ' A' ' 112' ' ' MET . 15.1 tt -82.71 -27.45 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.843 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.548 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . . . -63.74 -35.64 81.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.269 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -54.9 -43.3 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 60.42 110.76 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 93' ' ' LYS . 38.1 tptt -65.51 -41.26 93.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 74.44 111.158 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -64.7 -33.73 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.478 -0.328 . . . . 64.32 111.801 -175.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.511 HD11 ' CE1' ' A' ' 58' ' ' PHE . 58.5 mt -65.46 -50.31 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.14 0.495 . . . . 75.43 109.869 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 59.8 mmtt -64.78 -40.05 94.61 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.454 -0.794 . . . . 65.13 110.163 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 15.5 tp -57.0 -50.81 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.072 -0.967 . . . . 74.42 111.024 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.562 ' HD3' HG11 ' A' ' 67' ' ' VAL . 47.3 mttp -68.7 -28.76 67.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.193 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -77.06 -13.85 59.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.329 -0.396 . . . . 63.31 111.068 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 31.4 mm-40 -88.71 -24.87 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.52 110.57 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.79 57.48 0.49 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.656 -0.783 . . . . 51.31 112.602 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.535 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 97.0 m-85 -133.41 167.69 19.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.006 -0.368 . . . . 73.35 110.006 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -131.5 165.53 23.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 73.12 110.195 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.494 HD22 HD23 ' A' ' 108' ' ' LEU . 24.9 tp -168.55 142.12 2.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.435 ' O ' HD11 ' A' ' 74' ' ' LEU . 3.1 Cg_endo -87.91 -163.68 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.46 2.774 . . . . 61.34 112.28 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.3 m -76.01 5.95 5.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.825 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.0 117.98 34.8 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.288 -0.414 . . . . 61.05 111.148 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.779 ' HG ' HD21 ' A' ' 74' ' ' LEU . 81.0 mt -90.84 144.56 30.42 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 63.25 110.259 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.47 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 38.1 Cg_endo -67.84 152.24 77.55 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 121.914 1.742 . . . . 74.43 111.797 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.2 Cg_exo -70.89 -7.04 20.52 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.213 2.609 . . . . 74.25 113.002 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.1 t -82.76 -39.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.429 . . . . 65.4 111.245 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.499 ' HE1' HG13 ' A' ' 90' ' ' ILE . 82.3 mtp -72.75 -35.49 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 53.55 110.723 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.409 ' HB2' ' HZ3' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -89.77 -9.67 48.4 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 64.4 109.755 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.235 0.303 0 CA-C-N 115.192 -0.913 . . . . 60.52 111.732 -179.273 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 121.01 0.433 . . . . 71.04 110.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.448 ' O ' ' HG2' ' A' ' 112' ' ' MET . 89.6 m95 -90.68 -23.29 20.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.845 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 144.62 56.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.04 -0.527 . . . . 64.42 110.444 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.51 102.37 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.369 0.604 . . . . 73.3 109.507 174.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 159.29 25.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.093 -0.958 . . . . 74.44 110.456 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.54 -34.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.185 0.517 . . . . 52.24 110.949 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.32 -47.17 68.26 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.64 -0.709 . . . . 63.15 110.917 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HG3' ' HZ3' ' A' ' 93' ' ' LYS . 9.6 mm-40 -61.8 -37.44 84.38 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.525 0.678 . . . . 71.32 109.858 176.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 4.1 tmt_? -61.42 -34.77 75.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.172 -0.922 . . . . 75.52 110.381 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.69 -23.27 27.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 74.43 111.547 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.28 -35.09 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.875 -0.602 . . . . 74.41 112.012 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p80 -57.38 -34.97 69.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 74.34 111.831 -175.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 13.8 t70 -67.1 -39.4 86.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.444 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.25 -46.02 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 75.24 110.552 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.28 -44.75 71.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 62.45 110.778 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' HZ ' ' HA ' ' A' ' 48' ' ' PHE . 60.1 t80 -62.27 -39.69 93.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.84 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.38 -31.74 71.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 75.43 110.551 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 m -75.6 -19.49 59.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.003 -0.544 . . . . 53.22 111.981 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.81 HD22 ' HD2' ' A' ' 57' ' ' PHE . 65.7 mt -81.86 3.79 24.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.814 0.302 . . . . 75.32 111.814 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 54.82 73.27 0.91 Allowed Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 123.843 0.715 . . . . 71.45 111.236 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -51.11 128.45 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.964 1.776 . . . . 62.4 111.648 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.89 -27.18 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.499 0.666 . . . . 75.12 110.993 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -141.71 -69.04 0.37 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.224 -1.028 . . . . 65.02 108.224 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.07 19.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.391 -1.083 . . . . 71.34 110.391 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.623 ' HA ' ' HZ ' ' A' ' 39' ' ' PHE . 20.1 p90 -163.38 177.19 9.13 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.625 -0.288 . . . . 75.41 110.333 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.55 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 65.1 110.336 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 52' ' ' ASP . 10.3 t -148.21 176.71 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 60.24 109.955 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.44 -31.74 63.45 Favored Glycine 0 C--N 1.332 0.307 0 O-C-N 123.272 0.357 . . . . 75.2 113.134 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 50' ' ' THR . 35.5 t70 -60.97 -41.0 95.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 75.33 110.77 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.39 -42.28 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 71.33 109.981 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.18 85.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.56 -0.745 . . . . 64.13 111.06 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -60.26 -39.56 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.811 -0.631 . . . . 72.21 111.55 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -75.0 -32.99 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.646 -0.252 . . . . 71.24 110.826 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.81 ' HD2' HD22 ' A' ' 42' ' ' LEU . 62.7 t80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.628 -0.508 . . . . 62.31 109.628 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.933 ' HB3' HD21 ' A' ' 68' ' ' LEU . 22.4 m-30 -53.3 -48.71 68.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 74.2 110.724 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.19 -48.09 81.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.809 . . . . 75.31 111.87 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.73 -3.05 19.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 74.3 111.575 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -84.71 -17.93 36.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 73.54 110.585 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.9 38.61 5.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.467 -0.873 . . . . 73.22 113.138 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 68' ' ' LEU . 60.9 mt -130.53 150.3 75.92 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 110.355 -0.239 . . . . 71.21 110.355 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.612 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 14.6 Cg_exo -69.89 149.21 65.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.931 2.421 . . . . 74.03 112.019 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HA ' HD11 ' A' ' 68' ' ' LEU . 40.1 mt-30 -53.44 -44.51 97.72 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 113.491 0.923 . . . . 73.42 113.491 -176.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.43 -34.64 42.28 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.136 1.891 . . . . 72.35 112.754 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -83.07 -32.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.425 0.631 . . . . 74.31 110.078 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD21 ' HB3' ' A' ' 58' ' ' PHE . 72.0 mt -66.9 -48.11 69.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.348 -0.842 . . . . 74.31 110.935 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.84 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.384 -0.826 . . . . 62.24 111.138 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.437 HE22 HD13 ' A' ' 74' ' ' LEU . 1.1 tm0? -61.37 -42.88 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 70.1 109.582 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 1.005 HD12 HG12 ' A' ' 95' ' ' ILE . 35.7 mt -66.89 -46.17 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.676 -0.693 . . . . 72.52 110.3 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.606 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 21.1 t90 -64.12 -39.76 94.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.442 -0.799 . . . . 72.31 111.314 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.02 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 62.31 110.937 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.782 HD23 ' HG ' ' A' ' 108' ' ' LEU . 13.2 mt -91.07 -31.39 16.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.541 -0.754 . . . . 70.1 112.443 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.18 -69.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.14 0.422 . . . . 71.31 112.14 -168.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 100.69 8.44 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.543 -0.863 . . . . 73.33 108.726 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.6 mtm -51.84 -29.53 19.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.072 -1.422 . . . . 74.22 112.904 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -77.98 -11.13 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.939 0.399 . . . . 61.32 110.242 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.35 53.25 8.97 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.947 -1.131 . . . . 74.13 107.947 -169.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.78 -28.9 30.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.894 -1.503 . . . . 55.13 110.345 -170.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 87.54 16.22 60.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.716 -0.754 . . . . 54.3 111.716 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -103.38 -44.04 5.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.932 0.345 . . . . 74.25 111.932 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.701 ' HE3' ' HZ ' ' A' ' 58' ' ' PHE . 41.4 ttm 51.69 78.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.303 -0.862 . . . . 71.31 109.541 -163.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.12 175.33 6.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.201 -0.909 . . . . 74.01 109.213 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.84 -32.01 71.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.444 -0.206 . . . . 74.02 110.444 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.55 -46.02 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 72.3 110.141 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.26 -38.21 87.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.506 0.669 . . . . 55.02 109.823 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.12 -29.4 69.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.558 -0.746 . . . . 64.21 110.324 175.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -66.51 -33.06 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 64.21 110.733 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.629 HD13 HD12 ' A' ' 108' ' ' LEU . 18.0 tt -92.6 -23.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.273 0.559 . . . . 71.41 110.619 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.56 -22.74 29.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 72.12 112.039 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 13.3 ptm -56.34 -39.76 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 63.42 111.865 -176.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 13.0 ptpt -91.8 -4.29 55.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.028 -0.669 . . . . 71.24 111.392 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -48.61 67.83 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.174 -0.676 . . . . 72.53 109.174 173.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 1.005 HG12 HD12 ' A' ' 71' ' ' ILE . 22.5 mt -63.87 -38.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.508 0.671 . . . . 73.42 109.663 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 84.1 tttt -55.24 -43.52 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.595 -1.184 . . . . 70.0 110.874 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.15 -18.33 29.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 74.12 112.028 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.858 ' HZ1' ' HA ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -57.58 -49.58 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.092 0.472 . . . . 74.35 109.967 173.35 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.41 HD21 HD21 ' A' ' 63' ' ' LEU . 76.2 mt -71.01 -22.01 62.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.384 -0.826 . . . . 71.03 111.006 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.74 -26.99 29.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.741 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.87 0.75 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.731 -0.747 . . . . 75.2 113.741 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -129.06 148.24 50.99 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.667 -0.864 . . . . 73.14 108.667 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.858 ' HA ' ' HZ1' ' A' ' 98' ' ' LYS . 10.6 pt20 -117.08 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.287 -0.565 . . . . 75.43 112.417 -175.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.585 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 28.7 mt 66.55 148.46 0.11 Allowed Pre-proline 0 N--CA 1.468 0.445 0 C-N-CA 123.211 0.604 . . . . 73.22 111.529 -170.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 3.1 Cg_endo -87.26 -164.7 0.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.256 2.637 . . . . 71.24 111.116 171.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.502 ' HA ' HD21 ' A' ' 74' ' ' LEU . 5.9 p -73.27 -5.19 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.437 0.637 . . . . 64.32 111.267 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.06 100.35 12.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.587 -0.733 . . . . 74.45 111.061 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.782 ' HG ' HD23 ' A' ' 74' ' ' LEU . 24.9 mt -71.18 144.36 89.66 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.624 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 17.2 Cg_exo -68.79 151.94 74.14 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.373 2.049 . . . . 61.41 111.857 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 11.1 Cg_exo -72.11 -19.58 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 123.108 2.539 . . . . 71.25 112.438 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.93 -18.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.77 -0.65 . . . . 64.32 110.702 -174.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 70.2 mtp -92.0 -21.14 20.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 61.13 110.565 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -74.28 -31.34 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.858 -0.61 . . . . 75.32 111.565 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.703 0.764 . . . . 60.14 112.478 -178.095 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 73.52 111.369 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.47 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 53.8 m95 -100.4 -24.14 14.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.221 0.534 . . . . 70.53 110.68 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.0 116.14 6.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.474 -0.784 . . . . 75.43 111.948 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -92.69 88.76 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.585 0.707 . . . . 71.5 109.19 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -172.96 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.159 -0.928 . . . . 73.34 111.36 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.31 -41.11 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 62.4 110.766 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.14 -32.89 74.38 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.621 0.248 . . . . 74.31 110.77 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -71.5 -36.88 71.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.388 0.613 . . . . 74.33 109.494 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 35' ' ' HIS . 25.2 ttm180 -63.24 -48.66 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.702 -0.681 . . . . 75.24 110.119 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.05 78.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.996 -0.547 . . . . 60.05 110.62 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.09 -48.28 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 62.01 111.837 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' HB3' ' HE2' ' A' ' 92' ' ' MET . 3.7 p80 -64.53 -32.59 74.29 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 119.959 -0.697 . . . . 75.43 109.176 -175.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.49 -50.13 66.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.321 -0.854 . . . . 71.54 111.42 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.35 -42.04 90.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.169 0.509 . . . . 75.42 110.923 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -71.1 -40.06 71.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.853 -0.612 . . . . 71.21 110.562 178.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.808 ' HE1' HG21 ' A' ' 49' ' ' ILE . 12.6 t80 -55.43 -46.04 76.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 75.42 110.042 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -59.81 -43.11 94.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.132 -0.94 . . . . 73.23 111.272 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -75.26 -19.13 59.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.883 -0.598 . . . . 51.33 112.354 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 38' ' ' GLN . 59.3 mt -79.89 1.78 25.87 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.392 0.516 . . . . 73.01 112.392 -174.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 60.37 66.2 1.98 Allowed Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 109.752 -0.462 . . . . 72.43 109.752 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.67 147.17 81.12 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.861 1.708 . . . . 75.3 111.918 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.4 mt -76.67 95.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.167 -0.679 . . . . 71.45 109.167 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m 66.97 -69.89 0.12 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.853 0.721 . . . . 74.51 111.328 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.58 17.1 0.75 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.58 -0.819 . . . . 38.04 112.758 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.9 173.02 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.533 0.206 . . . . 73.11 110.531 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.808 HG21 ' HE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -124.67 -177.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.875 -0.417 . . . . 73.33 109.875 174.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.4 m -141.93 -173.24 3.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.359 -0.608 . . . . 71.45 109.359 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.724 ' H ' HG22 ' A' ' 50' ' ' THR . . . -54.33 -42.01 73.0 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.562 -0.351 . . . . 72.53 113.479 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.665 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 6.8 m-20 -61.55 -42.39 98.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.042 0.421 . . . . 71.31 111.568 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.639 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 10.5 mm100 -65.97 -37.14 85.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.805 -0.443 . . . . 74.05 109.805 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.11 96.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 74.2 110.314 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.665 ' HD2' ' HA ' ' A' ' 52' ' ' ASP . 98.1 mtt180 -52.51 -50.54 62.59 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.63 -0.714 . . . . 74.31 111.2 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 27.6 t-20 -64.6 -44.89 89.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 74.02 111.315 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HD1' HD22 ' A' ' 42' ' ' LEU . 67.8 t80 -56.99 -49.57 75.35 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.803 0.335 . . . . 72.31 110.996 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 95' ' ' ILE . 12.9 m-30 -65.18 -43.86 90.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.478 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HD1' HD13 ' A' ' 68' ' ' LEU . 63.5 t80 -67.0 -39.49 87.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.221 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -59.79 -22.91 62.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 72.53 111.024 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 m -80.01 -8.44 59.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.419 . . . . 73.43 111.37 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.01 43.16 5.13 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.616 -0.802 . . . . 73.54 112.64 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.499 HD21 HG13 ' A' ' 67' ' ' VAL . 66.9 mt -119.25 143.87 35.12 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 122.867 -0.196 . . . . 75.51 110.513 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.566 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 40.6 Cg_endo -70.77 163.06 40.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.854 2.369 . . . . 74.31 113.123 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 23.5 tt0 -53.1 -55.16 36.61 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 113.404 0.89 . . . . 74.01 113.404 -172.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 65' ' ' GLN . 35.0 Cg_exo -60.9 -31.35 91.48 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 121.988 1.792 . . . . 71.24 112.341 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG11 ' HD3' ' A' ' 98' ' ' LYS . 53.3 t -71.71 -35.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 62.54 110.713 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 46.7 mt -60.25 -48.25 82.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.587 0.708 . . . . 74.01 109.91 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.77 -37.85 77.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 75.11 111.333 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.471 HE21 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -60.34 -44.88 95.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.401 178.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.767 HD13 ' HG2' ' A' ' 98' ' ' LYS . 38.0 mt -66.34 -46.11 87.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.461 -0.336 . . . . 73.51 110.363 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -62.12 -44.79 95.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.916 -0.584 . . . . 74.42 111.33 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.45 71.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.981 0.419 . . . . 74.13 111.655 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.725 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.9 mp -88.03 -27.85 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 74.53 112.121 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -62.73 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.42 0.526 . . . . 64.44 112.42 -170.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.73 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 p-10 -84.08 94.39 8.32 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.746 0.784 . . . . 64.43 110.023 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.8 ptp -59.27 -30.75 68.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.649 -1.159 . . . . 54.22 111.778 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.538 HD21 ' HB2' ' A' ' 80' ' ' ASP . 11.9 t30 -68.29 -13.03 61.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.734 -0.666 . . . . 74.21 110.29 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 46.74 67.85 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.111 -0.95 . . . . 64.43 111.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.538 ' HB2' HD21 ' A' ' 78' ' ' ASN . 22.2 t70 -105.09 -15.99 14.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.335 -0.848 . . . . 73.35 109.694 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.0 36.09 64.59 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.855 -0.898 . . . . 74.12 110.855 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.473 ' HG3' HG21 ' A' ' 50' ' ' THR . 70.6 ttt180 -146.29 -44.69 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.107 -0.546 . . . . 72.31 109.95 -173.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.553 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 15.1 ptp 56.09 115.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 125.341 1.651 . . . . 74.23 112.499 -177.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.45 175.2 10.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.425 -0.954 . . . . 74.51 108.425 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 15.8 mm-40 -56.09 -23.61 34.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.088 0.773 . . . . 53.43 113.088 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.44 -54.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.612 -0.514 . . . . 74.54 109.612 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.73 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.0 mp0 -66.62 -28.66 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 61.14 110.729 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 93.5 t80 -67.47 -38.94 85.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.988 0.423 . . . . 74.12 110.478 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -66.72 -36.17 81.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.901 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.613 HG13 ' HE3' ' A' ' 112' ' ' MET . 17.0 tt -79.78 -30.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.37 -0.377 . . . . 70.14 110.651 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -72.96 -37.26 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.583 -0.281 . . . . 72.11 111.508 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.566 ' HE2' ' HB3' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -72.19 -24.97 61.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.019 0.437 . . . . 71.31 110.258 -179.407 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -76.6 -37.17 56.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 75.33 110.099 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.419 ' HG ' ' OH ' ' A' ' 102' ' ' TYR . 1.2 mp -59.42 -34.64 72.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.638 -0.71 . . . . 74.41 111.317 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 71' ' ' ILE . 37.0 mm -56.02 -45.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 74.34 111.865 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 96' ' ' LYS . 7.4 tmtm? -61.69 -42.74 99.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.504 -0.317 . . . . 74.22 110.309 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 tp -79.13 -26.86 42.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.211 0.529 . . . . 73.14 110.293 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.767 ' HG2' HD13 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.3 -31.31 67.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.5 178.335 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.81 -19.34 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 72.21 110.546 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -86.18 -17.03 35.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 72.12 110.535 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.68 45.18 6.92 Favored Glycine 0 C--O 1.226 -0.351 0 C-N-CA 121.119 -0.562 . . . . 73.14 113.186 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.419 ' OH ' ' HG ' ' A' ' 94' ' ' LEU . 5.0 p90 -81.64 170.09 16.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.125 0.462 . . . . 73.53 110.42 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -130.03 134.12 47.19 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.74 -0.663 . . . . 71.32 110.474 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.2 tp -159.33 144.23 11.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 75.34 109.617 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.74 178.65 5.51 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.754 2.303 . . . . 44.23 111.758 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.725 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 40.2 m -66.39 -15.3 63.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.96 0.41 . . . . 53.23 111.236 -174.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.82 86.7 7.32 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.193 0.52 . . . . 73.35 110.861 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 150.58 75.75 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.705 -0.679 . . . . 72.53 109.963 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.45 152.25 78.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.462 2.108 . . . . 54.45 113.08 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.22 -5.74 17.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.982 2.455 . . . . 75.2 112.192 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.88 -27.22 29.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.319 0.58 . . . . 71.1 110.215 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.613 ' HE3' HG13 ' A' ' 90' ' ' ILE . 44.2 mtp -84.42 -48.87 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 73.24 110.66 -178.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -69.64 -19.28 63.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.399 -0.364 . . . . 73.31 110.196 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 115.223 -0.898 . . . . 74.45 109.982 -177.464 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 112.083 0.401 . . . . 70.51 112.083 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -91.0 8.77 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 65.41 111.541 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.87 -170.01 1.59 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.155 -0.93 . . . . 63.34 109.628 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -128.7 97.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.515 0.674 . . . . 72.41 109.639 171.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -65.46 158.17 27.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.773 -1.103 . . . . 72.13 109.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.96 -30.22 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.972 0.415 . . . . 64.22 110.231 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.81 -46.67 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 71.53 110.18 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 46.6 mt-10 -66.5 -32.97 74.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.049 0.452 . . . . 73.32 110.237 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -66.18 -38.91 89.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.499 . . . . 72.11 110.1 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.01 56.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 73.53 110.771 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 2.5 tmtm? -60.23 -26.75 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.564 -0.744 . . . . 64.04 110.865 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 8.4 p-80 -58.41 -34.43 70.75 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.864 -0.421 . . . . 74.45 109.864 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.64 -48.46 74.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 61.14 110.253 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.04 -45.36 93.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 54.52 111.015 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HG2' ' HB2' ' A' ' 92' ' ' MET . 3.6 tp-100 -67.6 -50.84 56.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 75.31 110.523 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.783 ' HE1' HG22 ' A' ' 49' ' ' ILE . 3.9 t80 -64.12 -35.43 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 74.44 110.978 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -66.32 -34.41 77.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 72.44 110.201 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 m -75.91 -17.5 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 72.42 111.828 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.609 HD21 ' O ' ' A' ' 42' ' ' LEU . 5.8 tt -73.44 -19.65 60.91 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.74 -0.467 . . . . 74.4 109.74 177.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 75.48 0.36 Allowed Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.316 -0.856 . . . . 75.1 110.306 -171.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 10.2 Cg_endo -58.0 136.7 76.75 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.497 2.131 . . . . 74.24 111.591 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.1 tt -66.36 -35.28 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.691 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.632 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -156.55 44.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.749 0.785 . . . . 72.41 109.112 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.86 -1.68 87.93 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.472 -0.785 . . . . 52.32 112.439 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.632 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.4 p90 -143.99 170.1 16.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.656 -0.498 . . . . 73.22 109.656 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.783 HG22 ' HE1' ' A' ' 39' ' ' PHE . 2.3 pt -123.51 179.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 74.44 110.201 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -158.58 -174.63 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.853 -0.795 . . . . 61.34 108.853 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.429 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -54.07 -37.68 59.17 Favored Glycine 0 C--N 1.333 0.407 0 O-C-N 123.296 0.373 . . . . 75.34 112.815 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.74 -53.53 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 111.435 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -72.01 -29.74 64.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 71.54 110.901 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.47 94.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 71.13 110.14 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 39.6 mmt180 -58.05 -49.81 75.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 53.41 111.025 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.1 -48.48 79.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.955 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.26 -52.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.516 -0.311 . . . . 70.14 110.824 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 68' ' ' LEU . 3.9 m-85 -59.19 -47.05 86.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.074 -0.512 . . . . 62.55 111.578 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.6 -38.64 87.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.047 0.451 . . . . 75.14 110.626 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -72.33 -12.01 60.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.046 -0.525 . . . . 65.35 110.76 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -20.98 61.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.31 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.54 8.46 64.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 52.4 112.807 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.612 ' HB2' HD21 ' A' ' 68' ' ' LEU . 92.7 mt -90.84 144.29 30.03 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.58 -0.155 . . . . 71.25 110.58 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.94 158.18 39.82 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.952 2.434 . . . . 70.3 112.513 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 47.4 mt-30 -55.77 -52.81 69.18 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.808 0.67 . . . . 72.24 112.808 -175.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.04 -38.22 92.68 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 121.837 1.692 . . . . 75.12 111.923 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.593 HG12 ' HD2' ' A' ' 98' ' ' LYS . 72.8 t -62.38 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.814 . . . . 63.02 110.766 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 63' ' ' LEU . 96.4 mt -69.7 -48.22 60.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.803 -0.635 . . . . 65.43 110.901 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.7 70.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.509 -0.769 . . . . 75.31 111.101 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.79 -41.24 95.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 71.31 110.314 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.517 HD13 HD11 ' A' ' 95' ' ' ILE . 67.4 mt -74.92 -40.46 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.808 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.537 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 18.3 t90 -65.11 -40.31 94.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.473 -0.33 . . . . 74.03 110.504 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.9 -17.82 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 64.22 110.734 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' A' ' 108' ' ' LEU . 12.6 mt -92.52 -37.69 12.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.338 -0.846 . . . . 75.23 112.354 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.86 -63.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.017 0.377 . . . . 63.32 112.017 -169.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.658 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 14.9 p-10 -83.66 93.91 8.0 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.991 0.9 . . . . 74.31 108.872 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -61.14 -29.77 69.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.166 -1.379 . . . . 71.04 111.924 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -82.19 -7.57 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.049 0.452 . . . . 72.24 110.058 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.479 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.7 t-20 49.67 72.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.855 -1.066 . . . . 72.52 110.684 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.45 -19.79 21.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.883 -1.053 . . . . 61.34 109.578 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.454 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 73.55 39.02 50.84 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.712 -0.677 . . . . 75.22 112.013 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.449 ' HE ' ' HB2' ' A' ' 84' ' ' ASP . 14.7 ptm180 -121.04 -51.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.894 0.378 . . . . 75.14 111.514 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.537 ' HE1' ' CD1' ' A' ' 72' ' ' TRP . 48.0 ttm 55.11 81.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.959 -1.019 . . . . 64.34 110.258 -170.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 4.9 t70 -83.77 -173.17 4.56 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.422 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -18.89 64.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.043 0.449 . . . . 72.33 110.404 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.02 -55.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.814 -0.63 . . . . 74.11 110.07 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.658 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 3.4 mp0 -64.04 -42.69 96.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.408 -0.36 . . . . 75.11 110.736 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.83 -32.17 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 71.44 111.122 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.42 -30.29 71.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.713 0.292 . . . . 61.3 111.223 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.427 HD11 HD21 ' A' ' 108' ' ' LEU . 19.7 tt -98.79 -27.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.427 . . . . 75.44 110.835 -178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.74 35.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 73.51 111.979 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 35' ' ' HIS . 22.3 ptt? -57.07 -38.4 73.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.616 -0.265 . . . . 74.13 111.551 -176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HD3' ' HE3' ' A' ' 112' ' ' MET . 20.0 ptmt -85.26 -15.8 42.29 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.623 -0.431 . . . . 72.43 110.9 -178.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -41.38 71.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.677 -0.49 . . . . 71.33 109.677 174.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 71' ' ' ILE . 31.8 mm -61.12 -40.91 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.367 -0.605 . . . . 72.01 109.367 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 14.6 tmtt? -60.39 -48.12 83.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.018 -0.992 . . . . 74.34 110.955 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.69 -24.97 53.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.962 0.41 . . . . 74.32 111.059 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HD2' HG12 ' A' ' 67' ' ' VAL . 16.1 tppt? -70.89 -36.95 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.79 0.329 . . . . 75.24 110.227 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.11 -21.52 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 61.34 110.576 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 68.5 mm-40 -91.49 -12.25 35.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.532 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.11 17.41 20.5 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.794 -0.717 . . . . 64.3 113.645 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -86.51 159.09 19.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.342 0.591 . . . . 75.34 111.028 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -136.21 145.79 46.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.657 -0.701 . . . . 54.22 110.871 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.3 pt? -151.55 144.65 17.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.445 -0.946 . . . . 75.21 108.445 172.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.452 ' O ' HD13 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -77.36 -168.53 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.02 2.48 . . . . 74.23 112.855 -175.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 p -75.33 -1.24 22.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.401 0.619 . . . . 62.13 111.074 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.7 94.16 7.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 70.33 109.979 174.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 74' ' ' LEU . 13.6 tp -63.07 141.53 97.72 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.131 -0.692 . . . . 62.25 109.131 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 28.0 Cg_exo -63.85 150.9 87.37 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.055 1.837 . . . . 71.35 112.659 -174.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 3.1 Cg_exo -77.31 -25.28 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 123.093 2.529 . . . . 73.32 111.904 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.85 -22.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.929 -0.578 . . . . 72.11 110.767 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.469 ' HE3' ' HD3' ' A' ' 93' ' ' LYS . 80.4 mtp -83.73 -36.93 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.007 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.31 -21.8 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.915 -0.314 . . . . 72.12 110.502 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--O 1.234 0.288 0 CA-C-N 115.752 -0.658 . . . . 65.15 109.708 -175.75 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 121.161 0.505 . . . . 72.41 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.678 ' HH2' HD11 ' A' ' 104' ' ' LEU . 96.9 m95 -89.18 -19.84 24.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 74.3 111.007 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.03 141.41 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.046 -0.525 . . . . 75.14 110.431 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -87.64 97.56 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.259 0.552 . . . . 73.53 110.081 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.74 169.29 17.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.224 -0.898 . . . . 72.01 110.443 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -53.02 -41.47 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.511 0.196 . . . . 73.23 110.608 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.66 -49.07 77.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.772 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.871 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 7.7 mm-40 -62.33 -32.88 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 61.14 111.004 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -73.7 -49.89 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.98 -0.555 . . . . 75.43 110.284 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.89 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.447 0.536 . . . . 64.43 112.447 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.871 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 16.5 ptmt -62.94 -25.16 68.21 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 111.727 0.269 . . . . 75.32 111.727 -174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' HA ' ' HE3' ' A' ' 92' ' ' MET . 10.6 p-80 -61.5 -32.31 72.34 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 74.31 110.728 -177.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.41 -52.72 62.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.391 -0.822 . . . . 65.1 111.714 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -68.68 -42.09 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 72.3 111.718 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.722 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . 2.3 mp0 -67.22 -38.56 85.47 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.121 -0.231 . . . . 74.5 111.343 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -60.13 -43.0 96.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.283 0.563 . . . . 75.22 109.616 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -55.45 -35.29 65.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.342 -0.844 . . . . 71.44 111.408 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 m -73.75 -17.84 61.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.779 0.659 . . . . 71.32 112.779 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 57' ' ' PHE . 58.0 mt -91.52 3.07 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.261 -0.275 . . . . 75.51 111.556 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 59.26 70.46 1.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.691 -0.686 . . . . 74.41 111.605 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 30.3 Cg_endo -65.58 134.86 39.84 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.024 1.816 . . . . 51.1 111.494 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.432 HD13 ' H ' ' A' ' 45' ' ' ILE . 4.1 mp -74.8 -76.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.163 -0.471 . . . . 74.5 109.983 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.8 m -115.87 28.31 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.312 0.577 . . . . 74.52 109.95 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.57 55.26 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.507 -0.769 . . . . 64.23 111.993 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -128.39 151.79 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 74.12 110.57 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.512 HD11 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -137.79 -178.27 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.543 -0.753 . . . . 72.31 109.174 175.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.492 HG21 ' H ' ' A' ' 52' ' ' ASP . 15.1 t -136.43 -172.29 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.614 -0.513 . . . . 75.13 109.614 176.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.6 -22.95 60.06 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.498 -0.382 . . . . 73.42 113.474 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' H ' HG21 ' A' ' 50' ' ' THR . 34.9 t70 -67.1 -43.66 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.821 0.31 . . . . 73.24 110.924 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.03 -38.44 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 72.05 110.088 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.93 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 65.34 111.878 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 13.3 ptp180 -63.22 -36.66 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.675 0.274 . . . . 60.31 110.954 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.98 -30.15 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 75.53 110.3 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.722 ' HE1' ' HB3' ' A' ' 38' ' ' GLN . 66.1 t80 -57.43 -59.44 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.679 -0.691 . . . . 75.42 111.542 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 14.3 p90 -78.28 -26.42 47.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 72.31 111.119 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -64.42 -39.8 94.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.024 0.44 . . . . 75.52 110.177 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.8 -23.64 65.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 62.53 110.758 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.9 t -61.23 -47.38 86.35 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.489 -0.323 . . . . 74.21 110.847 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.85 30.27 5.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.579 -0.819 . . . . 70.11 113.05 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD22 HD21 ' A' ' 99' ' ' LEU . 56.5 mt -97.06 157.93 34.16 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.962 -0.384 . . . . 51.11 109.962 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 31.8 Cg_exo -59.87 151.14 73.44 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.67 2.247 . . . . 40.55 112.324 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.522 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mp0 -51.25 -50.89 73.25 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.109 0.781 . . . . 72.13 113.109 -176.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.5 Cg_exo -56.62 -34.15 94.91 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.064 1.843 . . . . 62.54 112.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 59.0 t -74.8 -37.33 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.229 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 82.4 mt -62.09 -49.9 74.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.546 -0.752 . . . . 73.51 111.06 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.35 76.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.707 -0.679 . . . . 74.21 110.88 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -64.84 -40.98 96.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.893 -0.594 . . . . 73.23 110.307 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.547 ' HA ' HD23 ' A' ' 94' ' ' LEU . 27.7 mt -55.76 -54.36 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.314 -0.403 . . . . 74.51 110.868 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.78 -47.6 82.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.702 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.86 70.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 73.03 111.553 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mt -79.23 -31.49 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.575 . . . . 74.52 111.628 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 -63.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.471 -173.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.548 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 27.7 p-10 -85.35 86.23 7.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.804 0.811 . . . . 73.03 109.543 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.52 -29.26 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.883 -1.053 . . . . 75.54 111.196 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -71.67 -11.38 60.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 73.14 110.683 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.83 72.18 0.49 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.9 0.857 . . . . 75.2 109.212 -171.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 15.8 t70 -87.39 -39.34 15.36 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.548 -1.206 . . . . 71.43 109.828 -170.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.19 -12.32 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 71.41 111.93 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -119.88 -29.24 5.02 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.586 -0.524 . . . . 74.5 109.586 176.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.461 ' HE2' ' HD1' ' A' ' 88' ' ' PHE . 38.5 ttp 67.64 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.522 -1.217 . . . . 74.31 109.805 -175.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.14 -179.1 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.953 -1.021 . . . . 73.01 110.225 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.64 -47.21 73.78 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.976 0.732 . . . . 71.54 112.976 -169.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.88 -44.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 65.31 110.514 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.548 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 6.2 mp0 -66.68 -41.02 88.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.755 -0.657 . . . . 73.5 110.543 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HD1' ' HE2' ' A' ' 83' ' ' MET . 61.6 t80 -66.88 -31.92 72.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.815 -0.629 . . . . 74.24 110.9 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -72.1 -30.99 65.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.474 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 87' ' ' GLU . 12.7 tt -81.45 -21.0 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 74.23 111.011 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.0 -16.87 63.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 74.03 111.078 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.569 ' HE3' ' HA ' ' A' ' 35' ' ' HIS . 25.7 mmt -59.31 -31.12 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 70.11 111.601 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.787 ' HG2' HD23 ' A' ' 97' ' ' LEU . 23.6 ttmm -83.31 -37.56 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.431 -0.35 . . . . 72.33 110.691 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -59.79 -42.11 92.68 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 121.205 -0.198 . . . . 73.31 111.186 -177.469 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.491 HG13 ' HE2' ' A' ' 57' ' ' PHE . 34.2 mm -59.92 -41.48 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 73.2 109.945 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 13.1 tmtt? -69.15 -44.8 71.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.222 -0.899 . . . . 64.14 110.662 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.787 HD23 ' HG2' ' A' ' 93' ' ' LYS . 4.4 pp -77.44 -33.21 54.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 73.14 112.007 -176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 103' ' ' GLN . 38.3 mttp -68.71 -35.3 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.963 -0.295 . . . . 74.22 111.098 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.404 HD21 HD22 ' A' ' 63' ' ' LEU . 54.4 mt -65.22 -23.26 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.361 . . . . 73.23 110.667 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 27.4 mm-40 -83.05 -19.24 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 75.45 110.605 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.44 63.88 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.575 -0.821 . . . . 41.32 113.107 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -144.34 162.24 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.207 -0.294 . . . . 74.44 110.207 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 63.7 tt0 -129.37 -45.93 1.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.221 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.678 HD11 ' HH2' ' A' ' 25' ' ' TRP . 10.0 mp 72.76 158.58 0.16 Allowed Pre-proline 0 N--CA 1.47 0.553 0 O-C-N 123.764 0.665 . . . . 74.43 112.008 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.0 -163.69 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.999 2.466 . . . . 65.42 111.764 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 p -85.75 8.59 19.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.487 0.661 . . . . 73.11 111.195 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.61 114.32 11.9 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.007 -0.997 . . . . 65.12 110.523 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.93 155.79 75.08 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.503 -0.317 . . . . 75.04 110.927 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.07 153.8 30.77 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.982 2.454 . . . . 74.15 113.185 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.25 -20.25 70.26 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.261 2.641 . . . . 65.13 112.851 -177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.5 -29.47 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 75.22 110.672 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.559 ' HE2' ' HD2' ' A' ' 93' ' ' LYS . 59.8 mtp -79.14 -36.93 39.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.883 -0.327 . . . . 62.0 110.648 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -82.98 -7.28 59.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 75.51 110.121 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 . . . . . 0 C--O 1.234 0.241 0 CA-C-N 114.97 -1.013 . . . . 72.32 112.392 174.059 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 75.42 110.274 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.566 ' HH2' HD21 ' A' ' 104' ' ' LEU . 42.3 m95 -78.87 -2.38 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 74.33 111.201 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.7 164.24 11.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.946 -0.57 . . . . 75.43 110.1 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.7 mt -91.37 90.53 3.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 74.5 110.24 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -70.23 162.33 28.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.517 -0.765 . . . . 71.12 110.324 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.56 -35.83 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 71.14 110.475 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.99 -44.81 95.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 72.41 110.033 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 75.45 110.562 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 54.3 ttt-85 -65.43 -51.47 60.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 73.24 110.356 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.63 90.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 71.14 110.531 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.83 -51.92 66.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.903 -0.589 . . . . 63.44 111.927 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 9.8 p80 -61.99 -31.81 72.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.519 -0.472 . . . . 75.21 110.999 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.97 -44.35 73.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 74.44 110.269 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.3 -40.23 95.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.051 -0.522 . . . . 75.11 110.297 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.8 -46.57 88.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 71.22 109.648 177.662 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 4.8 t80 -60.43 -41.51 94.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.89 -1.05 . . . . 74.34 110.191 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -60.25 -40.28 89.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.435 -0.802 . . . . 75.54 110.583 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 m -75.3 -18.31 60.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.848 -0.615 . . . . 75.12 111.855 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD21 ' HD2' ' A' ' 57' ' ' PHE . 74.1 mt -77.98 -12.6 60.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.67 -0.241 . . . . 74.5 110.782 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 13.0 mptt 66.15 80.99 0.22 Allowed Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 74.32 110.608 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 19.4 Cg_endo -59.34 149.08 83.43 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.946 2.431 . . . . 73.13 111.618 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 48' ' ' PHE . 11.3 tp -81.57 -32.59 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.044 0.449 . . . . 72.5 111.077 -175.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -163.75 45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.631 0.729 . . . . 72.2 109.171 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.04 -16.47 60.84 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.413 -0.812 . . . . 62.21 111.692 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 45' ' ' ILE . 41.6 p90 -135.15 163.44 29.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.706 -0.479 . . . . 73.11 109.706 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.537 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 41.8 pt -99.59 -164.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.727 -0.842 . . . . 73.21 108.727 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 12.2 t -147.96 177.32 9.45 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 120.459 -0.496 . . . . 60.12 110.036 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -55.0 -47.89 70.36 Favored Glycine 0 C--O 1.228 -0.25 0 O-C-N 123.352 0.408 . . . . 43.53 113.801 -173.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.56 -40.47 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.273 0.559 . . . . 74.32 110.517 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.6 -31.53 68.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 53.11 110.555 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.52 -47.33 79.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 72.24 110.113 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 94.9 mtt180 -59.56 -40.75 88.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.607 -0.724 . . . . 74.24 110.373 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -54.03 -50.74 66.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.572 -0.74 . . . . 74.22 111.063 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' HD2' HD21 ' A' ' 42' ' ' LEU . 59.4 t80 -57.39 -48.83 78.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.618 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.597 ' HB3' HD21 ' A' ' 68' ' ' LEU . 17.6 m-30 -61.57 -48.55 80.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 75.44 110.698 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -61.38 -41.05 96.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.981 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -69.37 -9.66 54.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.367 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -84.22 -16.48 43.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.421 -0.354 . . . . 73.22 111.053 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.18 38.21 6.85 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.623 -0.798 . . . . 41.03 113.216 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 71.4 mt -113.88 147.87 38.65 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.713 -0.286 . . . . 75.21 110.433 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 26.4 Cg_exo -63.96 158.9 44.9 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.855 2.37 . . . . 64.23 112.61 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.3 mt-30 -54.19 -53.09 62.82 Favored Pre-proline 0 N--CA 1.467 0.41 0 N-CA-C 112.997 0.74 . . . . 72.22 112.997 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -59.35 -21.58 61.45 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.211 1.941 . . . . 70.11 112.209 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 62.3 t -85.7 -44.59 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.052 -0.522 . . . . 73.41 109.928 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 58' ' ' PHE . 82.3 mt -56.02 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.43 0.633 . . . . 70.53 110.682 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.02 -0.991 . . . . 64.23 110.474 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 67' ' ' VAL . 23.1 tp60 -67.08 -45.21 77.97 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.645 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.451 HG22 HG12 ' A' ' 95' ' ' ILE . 2.5 mp -69.95 -37.81 73.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.259 -0.577 . . . . 71.33 110.438 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -62.78 -46.84 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.963 -0.295 . . . . 75.24 110.27 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.62 67.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 70.42 110.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.687 HD22 ' HA ' ' A' ' 106' ' ' SER . 19.9 mt -80.18 -39.05 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 72.53 111.957 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -70.63 -71.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.622 0.601 . . . . 71.43 112.622 -168.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.765 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 4.0 p-10 -75.29 92.82 2.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 122.163 0.982 . . . . 73.12 109.524 178.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.4 mtm -62.29 -29.39 70.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.325 -1.307 . . . . 72.53 110.777 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 80' ' ' ASP . 1.5 p30 -83.23 -13.67 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 64.32 109.942 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.765 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 t-20 44.9 76.69 0.08 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.985 -1.007 . . . . 72.43 111.405 -175.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.525 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 9.3 p-10 -96.95 -36.66 10.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 61.14 110.529 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.51 6.5 38.36 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.694 -0.765 . . . . 73.4 112.676 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -121.34 -32.19 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.636 -0.505 . . . . 75.22 109.636 172.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.462 ' HE3' ' HZ ' ' A' ' 58' ' ' PHE . 51.7 ttm 71.62 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.946 -1.025 . . . . 63.25 110.536 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.444 ' OD2' HG12 ' A' ' 86' ' ' VAL . 26.2 t70 -67.26 168.68 10.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.487 -0.779 . . . . 75.45 109.934 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.62 -33.89 75.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.334 -0.393 . . . . 64.13 110.593 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.444 HG12 ' OD2' ' A' ' 84' ' ' ASP . 9.2 p -69.55 -39.43 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.826 0.346 . . . . 63.33 110.282 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 4.2 mm-40 -68.71 -39.51 80.42 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.604 0.716 . . . . 72.3 109.341 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.2 -31.49 72.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.837 . . . . 75.35 111.081 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 m -59.83 -31.61 69.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 64.24 111.891 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 87' ' ' GLU . 17.3 tt -86.7 -26.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 73.43 110.767 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.58 -34.08 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 51.4 111.699 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -23.25 67.35 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.509 0.559 . . . . 74.11 112.509 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -100.4 -28.85 12.72 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.774 -0.37 . . . . 72.44 110.793 177.386 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.57 -38.57 84.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 64.31 111.75 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.451 HG12 HG22 ' A' ' 71' ' ' ILE . 15.7 mm -61.1 -49.45 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.37 . . . . 41.32 110.677 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' A' ' 99' ' ' LEU . 56.6 mmtt -66.95 -35.1 79.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.264 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 17.4 tp -59.72 -40.55 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.7 -0.682 . . . . 64.14 110.327 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HZ3' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -67.37 -38.76 85.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.564 -0.744 . . . . 64.21 110.064 178.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.572 HD12 ' HD3' ' A' ' 96' ' ' LYS . 74.0 mt -68.31 -29.95 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 75.03 111.226 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 14.0 mm100 -74.5 -13.35 60.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 70.01 110.952 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.51 40.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.884 -0.675 . . . . 71.42 113.185 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.405 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 86.8 m-85 -87.85 158.65 18.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.136 0.494 . . . . 74.01 110.421 178.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -87.24 138.4 31.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.76 -0.655 . . . . 44.33 110.626 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.566 HD21 ' HH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -168.32 88.4 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 74.11 109.997 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.54 -162.98 0.19 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 123.697 2.931 . . . . 71.15 112.702 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.687 ' HA ' HD22 ' A' ' 74' ' ' LEU . 2.8 p -69.96 -1.4 9.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.633 -0.712 . . . . 72.05 111.804 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.75 105.01 17.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.522 -0.763 . . . . 73.22 110.91 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 74' ' ' LEU . 21.7 mt -72.32 143.51 85.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.458 -0.337 . . . . 75.23 110.398 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 112' ' ' MET . 5.6 Cg_exo -75.15 153.51 41.15 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.921 2.414 . . . . 73.4 111.989 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -40.36 62.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.937 2.425 . . . . 72.34 112.658 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.1 -21.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 63.11 111.288 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.605 ' HA ' ' HE2' ' A' ' 112' ' ' MET . 0.4 OUTLIER -89.59 -40.01 12.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.694 -0.685 . . . . 71.23 111.81 -178.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -46.04 18.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 73.0 111.433 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 N--CA 1.465 0.277 0 O-C-N 123.224 0.327 . . . . 72.45 111.075 178.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 120.662 0.267 . . . . 74.31 111.285 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -94.19 -20.68 19.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.972 0.415 . . . . 73.53 111.083 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.44 143.08 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.96 -0.564 . . . . 74.01 110.808 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -103.45 88.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 29' ' ' VAL . 1.8 m -75.63 176.5 7.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.017 -0.992 . . . . 74.43 110.128 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 ' H ' HG23 ' A' ' 28' ' ' THR . 57.7 t -54.65 -37.13 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.802 0.334 . . . . 54.14 111.073 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -64.4 -41.51 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.222 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.62 -30.73 63.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 75.01 110.485 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -67.36 -52.29 41.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.081 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -20.01 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 61.15 111.067 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.29 -39.29 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.825 . . . . 64.31 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -57.8 -27.83 63.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.888 -0.597 . . . . 74.34 111.939 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.77 -55.51 25.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.47 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -68.16 -42.91 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 74.3 110.408 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' HG3' ' SD ' ' A' ' 92' ' ' MET . 84.6 mm-40 -58.44 -51.29 70.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 62.4 111.12 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.02 -36.18 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.072 -0.513 . . . . 75.52 110.853 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -71.02 -32.59 69.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.32 -0.4 . . . . 74.5 110.98 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -77.16 -19.38 56.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.467 -0.333 . . . . 73.24 110.682 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -71.05 -10.11 59.19 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.001 -0.545 . . . . 53.01 110.367 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 57.41 80.84 0.27 Allowed Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.15 111.945 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.47 149.73 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.244 1.963 . . . . 74.24 111.447 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.46 -42.49 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.113 0.483 . . . . 74.12 110.439 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -155.66 14.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.371 0.605 . . . . 60.32 109.538 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.17 -14.79 6.95 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.417 -0.81 . . . . 63.22 111.093 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -117.24 159.76 22.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.912 -0.403 . . . . 75.33 109.912 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.636 ' HB ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 pp -131.75 -174.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.025 -0.534 . . . . 75.51 109.745 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.7 t -161.37 173.06 15.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.577 -0.449 . . . . 61.34 111.25 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.73 -45.16 96.83 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.027 -0.533 . . . . 72.33 113.671 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.73 -43.39 94.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 72.31 111.445 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.636 ' OE1' ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.94 -31.93 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.891 -0.323 . . . . 75.15 110.534 -179.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.4 90.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.878 0.371 . . . . 72.42 110.556 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -52.89 -43.78 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 63.22 111.354 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -70.73 -50.42 36.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.259 -0.428 . . . . 63.34 110.751 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -56.63 -49.15 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.802 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.697 ' HB3' HD21 ' A' ' 68' ' ' LEU . 4.9 m-85 -59.01 -46.38 88.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 74.11 111.266 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.564 ' HA ' HD13 ' A' ' 68' ' ' LEU . 58.1 t80 -67.34 -31.02 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.065 0.459 . . . . 61.25 110.947 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.55 5.52 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.1 -0.5 . . . . 75.35 112.29 -178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB2' HD12 ' A' ' 99' ' ' LEU . 87.5 p -83.26 -31.02 27.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 74.31 110.01 175.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.81 9.95 15.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.847 -0.692 . . . . 61.44 112.483 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB2' HD22 ' A' ' 68' ' ' LEU . 78.8 mt -99.88 144.45 28.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.299 -0.26 . . . . 64.22 110.299 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 23.6 Cg_exo -66.24 152.84 80.13 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.919 2.413 . . . . 75.44 112.121 175.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 26.5 mt-30 -55.65 -47.65 98.22 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 113.293 0.849 . . . . 71.21 113.293 -176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.2 Cg_exo -54.99 -36.41 92.41 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.809 1.673 . . . . 72.24 112.008 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.434 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 57.5 t -73.78 -37.97 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 63.34 110.361 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 58' ' ' PHE . 95.5 mt -64.55 -46.13 84.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.56 -0.745 . . . . 45.52 111.024 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.85 64.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.203 -0.908 . . . . 73.2 111.043 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.77 -38.07 85.83 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.985 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.774 HD11 HD13 ' A' ' 95' ' ' ILE . 90.9 mt -67.83 -43.72 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 74.33 110.16 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -67.15 -45.34 77.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 75.22 110.893 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.57 64.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.11 0.481 . . . . 62.45 110.62 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.9 HD21 ' HG ' ' A' ' 108' ' ' LEU . 13.7 mt -91.52 -27.3 18.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.526 -0.761 . . . . 74.32 111.823 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.132 -0.485 . . . . 72.53 111.181 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.573 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 1.8 p-10 -83.13 96.09 8.29 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.795 -0.817 . . . . 65.41 108.795 171.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.1 mtm -59.21 -30.8 68.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.58 -1.191 . . . . 65.52 112.039 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.42 -12.19 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.404 0.621 . . . . 72.31 109.606 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.573 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 52.2 71.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.68 -1.146 . . . . 73.22 111.593 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -87.59 -16.33 34.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.269 -0.878 . . . . 63.12 109.453 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.71 34.59 48.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.704 -0.76 . . . . 62.33 112.308 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -140.13 -21.99 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.851 0.315 . . . . 65.42 111.851 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 ptp 45.79 -164.74 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.102 0.876 . . . . 74.32 111.593 -168.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 16.9 t70 -176.76 179.78 1.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.675 -1.232 . . . . 73.24 107.675 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -24.57 61.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.773 -0.454 . . . . 64.23 109.773 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.35 -52.92 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 63.42 109.891 175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 90' ' ' ILE . 16.3 mp0 -68.01 -34.64 76.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.341 -0.391 . . . . 45.15 111.082 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.44 -28.26 69.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.74 -0.209 . . . . 74.23 111.0 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -62.63 -26.46 68.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 70.33 110.786 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.1 tt -98.03 -24.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 75.15 110.32 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.25 -33.38 56.04 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.935 -0.575 . . . . 44.23 111.556 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.437 ' SD ' ' HG3' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.07 -28.73 69.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.946 0.403 . . . . 73.54 110.937 -178.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.863 ' HD3' ' HE1' ' A' ' 112' ' ' MET . 53.2 tttp -71.58 -29.65 64.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.545 . . . . 61.15 109.768 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -26.17 53.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.067 -0.515 . . . . 54.5 111.125 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.774 HD13 HD11 ' A' ' 71' ' ' ILE . 29.0 mm -61.98 -52.07 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.294 -0.632 . . . . 73.42 109.294 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -64.75 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 74.23 110.976 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.711 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.3 tp -59.92 -47.19 86.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 74.2 111.07 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.605 ' HD2' HD13 ' A' ' 71' ' ' ILE . 53.0 mttm -73.49 -33.53 64.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.407 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 61' ' ' SER . 79.7 mt -67.3 -30.84 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 74.42 110.502 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -74.07 -25.82 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.307 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.69 23.17 2.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.453 -0.88 . . . . 71.13 113.825 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.711 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 73.8 m-85 -102.63 149.53 24.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.691 0.757 . . . . 75.24 111.208 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -140.9 93.77 2.64 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.724 -1.126 . . . . 71.23 110.269 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 148.11 35.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.398 -0.819 . . . . 63.34 109.693 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 74' ' ' LEU . 91.7 Cg_endo -78.44 -162.19 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.52 2.813 . . . . 70.43 112.791 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.468 ' HA ' HD22 ' A' ' 74' ' ' LEU . 32.5 p -71.79 9.56 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 62.02 111.999 -175.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' PRO . . . -102.06 94.97 6.04 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.547 -0.751 . . . . 75.33 111.429 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.9 ' HG ' HD21 ' A' ' 74' ' ' LEU . 13.5 mt -73.0 143.63 84.24 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.8 -0.445 . . . . 71.32 109.8 172.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 11.9 Cg_exo -71.95 152.26 57.3 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.252 1.968 . . . . 73.32 112.081 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_exo -67.76 -22.59 43.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.928 2.419 . . . . 72.31 112.468 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.62 -29.89 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 60.24 111.28 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.863 ' HE1' ' HD3' ' A' ' 93' ' ' LYS . 79.3 mtp -81.68 -41.3 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 73.1 110.89 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.68 -27.11 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.118 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 . . . . . 0 C--O 1.236 0.364 0 CA-C-N 115.914 -0.584 . . . . 74.31 109.62 -171.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.706 0.289 . . . . 64.13 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.4 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 98.4 m95 -78.68 -25.63 44.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.39 . . . . 72.34 111.125 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.33 143.66 52.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 65.21 111.083 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -96.12 95.37 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 71.43 110.051 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -74.43 164.04 27.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.241 -0.89 . . . . 73.33 110.06 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.67 -33.81 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.964 0.411 . . . . 72.12 111.032 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.87 -46.22 91.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 72.44 110.62 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.97 -38.49 91.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.179 0.514 . . . . 74.0 110.07 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.467 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 25.1 ttp85 -67.88 -47.91 67.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.751 -0.659 . . . . 63.44 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.13 80.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 72.43 111.003 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HD3' ' SD ' ' A' ' 92' ' ' MET . 13.3 tttt -62.15 -26.73 68.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 74.24 110.813 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 10.5 m-70 -58.26 -47.33 83.92 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.869 0.366 . . . . 74.11 110.279 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.78 -42.24 88.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 70.51 111.206 -172.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -61.65 -46.91 87.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.153 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.2 mt-30 -75.78 -38.64 58.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.365 . . . . 63.24 110.484 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.493 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 11.8 t80 -61.11 -41.98 97.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 65.02 110.076 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -55.31 -42.43 73.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.774 . . . . 75.03 110.347 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -75.59 -19.0 59.55 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.441 -0.8 . . . . 75.11 111.669 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.562 HD23 ' HD1' ' A' ' 57' ' ' PHE . 85.9 mt -76.19 -12.93 60.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.785 0.291 . . . . 74.11 111.785 -176.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 66.23 68.24 0.64 Allowed Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.616 0.572 . . . . 75.53 110.448 -174.58 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 43.7 Cg_endo -70.6 158.9 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.361 2.04 . . . . 73.34 112.039 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 45' ' ' ILE . 3.9 mp -101.22 106.11 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.688 -0.856 . . . . 72.41 108.688 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t 65.93 -74.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.822 0.702 . . . . 65.12 110.447 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.71 27.66 0.24 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.67 -0.572 . . . . 51.51 111.67 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -146.01 165.99 27.41 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.919 0.39 . . . . 74.04 111.126 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.9 pt -143.7 -176.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.673 -0.694 . . . . 70.25 109.825 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -143.91 -179.36 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.252 -0.647 . . . . 71.12 109.252 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.98 62.04 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.565 -0.35 . . . . 72.03 113.575 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.64 -42.81 97.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 74.3 110.813 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.8 -42.32 41.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.699 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.91 86.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 74.22 111.943 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.744 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 14.6 ptm180 -60.9 -36.72 80.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 73.31 111.282 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.57 -33.05 75.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.53 -0.305 . . . . 75.22 111.002 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' HD1' HD23 ' A' ' 42' ' ' LEU . 68.7 t80 -60.16 -58.28 9.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 71.53 111.19 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.744 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 11.7 p90 -77.26 -22.5 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.169 -0.612 . . . . 65.22 111.37 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.5 -31.91 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 72.04 110.382 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -67.14 -9.55 41.04 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.742 -0.663 . . . . 62.13 111.964 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' HD23 ' A' ' 99' ' ' LEU . 90.0 p -70.35 -40.94 73.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 71.22 110.949 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.42 11.33 29.44 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.673 -0.775 . . . . 71.04 111.709 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.19 157.38 65.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.274 -0.269 . . . . 74.11 110.274 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.548 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.6 Cg_exo -67.22 152.76 79.02 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.703 2.269 . . . . 70.14 112.182 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 48.7 mt-30 -54.37 -45.7 99.23 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 112.974 0.731 . . . . 73.01 112.974 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 75.3 Cg_exo -52.62 -41.7 66.97 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.018 1.812 . . . . 73.42 112.47 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.18 -39.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 88.3 mt -58.38 -48.56 80.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.626 -0.715 . . . . 73.45 110.687 176.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.81 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.201 -0.909 . . . . 73.35 110.874 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.41 -41.16 73.31 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.302 -0.408 . . . . 64.14 110.871 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -54.74 -46.43 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.956 0.408 . . . . 74.24 110.079 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.818 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.7 t90 -66.14 -43.7 86.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.623 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.83 94.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.121 0.415 . . . . 40.41 112.121 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.847 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.3 mp -77.94 -34.33 51.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 72.42 111.325 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.34 -42.92 43.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 74.31 112.188 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.658 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 26.9 t0 -76.1 76.59 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.075 -0.713 . . . . 70.01 109.075 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.0 mtm -63.57 -30.56 71.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.121 -0.945 . . . . 72.23 111.495 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -84.99 -11.66 54.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.946 0.403 . . . . 75.32 110.01 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.97 49.77 13.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.543 -0.753 . . . . 74.13 109.096 -177.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.459 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 36.7 t70 -78.09 -34.99 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.458 -0.792 . . . . 74.32 109.943 -176.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.818 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.99 2.57 71.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.611 -0.804 . . . . 61.22 111.709 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 52.1 mtp85 -117.63 -26.18 6.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.227 -0.486 . . . . 64.25 110.838 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.1 ttm 62.51 91.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.205 0.941 . . . . 74.11 110.163 -173.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.93 165.85 24.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.388 -0.597 . . . . 73.32 109.388 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 37.3 mm-40 -52.26 -25.99 10.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.39 0.515 . . . . 71.43 112.39 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.14 -50.45 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 75.2 110.311 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.658 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.3 mp0 -67.18 -36.82 82.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.055 0.455 . . . . 70.44 110.237 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 90.9 t80 -60.8 -33.51 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 72.13 110.391 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 t -59.1 -42.22 89.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.676 -0.693 . . . . 65.44 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.595 HG13 ' HE3' ' A' ' 112' ' ' MET . 17.9 tt -89.36 -28.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.998 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.53 84.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.981 0.42 . . . . 74.2 111.107 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 ttp -64.54 -29.75 70.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 73.12 110.53 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -85.79 -30.51 22.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.495 -0.775 . . . . 75.44 110.609 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.03 -39.71 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.117 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.1 mt -54.94 -43.82 70.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 73.23 111.217 -176.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -56.7 -45.91 81.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 70.14 110.97 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 3.8 mm? -80.25 -33.52 37.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.097 -0.501 . . . . 63.21 111.024 -177.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.842 ' HZ3' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.16 -39.47 94.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.727 -0.215 . . . . 74.55 110.924 178.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 61' ' ' SER . 71.9 mt -65.12 -28.07 69.18 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.474 0.484 . . . . 70.22 110.959 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -79.33 -26.18 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 75.52 110.352 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.66 43.39 2.5 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.42 114.097 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.554 ' CE1' ' HE2' ' A' ' 98' ' ' LYS . 4.1 p90 -86.3 169.46 12.95 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 117.488 0.644 . . . . 74.13 110.001 173.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -140.64 136.89 33.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.376 -0.829 . . . . 72.32 110.293 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.414 ' HG ' ' HD2' ' A' ' 105' ' ' PRO . 20.0 tp -165.78 146.93 5.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.695 -0.854 . . . . 74.21 108.695 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HG ' ' A' ' 104' ' ' LEU . 33.5 Cg_exo -59.0 171.6 2.08 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 71.52 112.892 176.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.847 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 16.1 m -67.2 -17.25 64.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.596 -0.729 . . . . 74.51 110.94 -175.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.26 105.16 17.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.02 -0.536 . . . . 70.31 110.425 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.76 157.77 48.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.698 -0.683 . . . . 71.2 110.345 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 34.9 Cg_exo -58.77 152.52 56.25 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.571 2.181 . . . . 73.14 112.667 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.7 Cg_exo -69.73 -11.48 30.98 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.072 2.515 . . . . 73.31 112.654 -177.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.75 -32.99 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.129 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.595 ' HE3' HG13 ' A' ' 90' ' ' ILE . 71.0 mtp -82.88 -21.65 34.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 74.54 111.531 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -107.22 -24.8 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 74.51 110.699 -176.165 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.555 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 32.4 mm-40 . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.865 -0.607 . . . . 74.14 111.907 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.333 0.587 . . . . 71.04 109.72 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.553 ' O ' ' HG2' ' A' ' 112' ' ' MET . 92.3 m95 -83.87 -25.66 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.53 109.981 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 147.45 46.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.676 -0.693 . . . . 40.33 111.006 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mt -105.7 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.129 0.49 . . . . 74.44 110.41 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.98 -178.74 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.636 -0.711 . . . . 72.41 109.421 175.453 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 ' H ' HG22 ' A' ' 28' ' ' THR . 43.7 t -59.13 -44.01 90.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.327 . . . . 75.2 110.498 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.52 -41.9 98.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.516 . . . . 65.12 110.935 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.83 -32.85 72.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.015 0.436 . . . . 72.42 110.483 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -65.64 -50.36 65.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.205 -0.452 . . . . 65.21 109.928 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -24.36 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.986 -0.552 . . . . 72.22 111.648 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -56.63 -27.08 57.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.612 -0.722 . . . . 75.34 111.646 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -61.23 -34.22 74.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.857 0.36 . . . . 73.13 111.052 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.23 -50.09 75.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.696 -0.684 . . . . 73.44 111.604 -175.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -60.06 -39.24 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.538 . . . . 53.31 111.325 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -76.35 -40.9 50.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.814 0.34 . . . . 72.44 110.651 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.584 ' HE1' HD12 ' A' ' 49' ' ' ILE . 28.7 t80 -64.81 -38.91 92.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 72.13 110.413 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -59.55 -40.2 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 74.41 110.839 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 m -76.44 -18.15 58.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.551 0.574 . . . . 62.23 112.551 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -73.25 -12.46 60.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 75.42 110.772 -176.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 62.84 65.98 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.686 -0.688 . . . . 54.53 111.442 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.95 129.57 16.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.135 1.89 . . . . 74.35 111.121 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.411 HD13 ' H ' ' A' ' 45' ' ' ILE . 4.3 mp -72.72 -72.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.795 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 14.8 m -102.62 32.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 72.01 110.845 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 7.56 61.95 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.884 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 37.5 p90 -149.46 169.45 20.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.911 -0.403 . . . . 73.03 109.911 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.623 HD11 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.96 -179.39 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 72.25 110.087 178.213 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -138.82 173.47 11.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.446 -0.343 . . . . 71.13 110.574 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.19 -35.22 64.2 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 123.272 0.358 . . . . 74.04 112.846 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.26 -48.66 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 73.14 110.788 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -38.94 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.509 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.66 37.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.742 -0.663 . . . . 74.34 110.593 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -58.7 -43.28 90.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 64.35 111.354 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.77 -43.16 94.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.303 -0.408 . . . . 72.43 110.479 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.34 -48.74 66.63 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.946 -0.57 . . . . 73.24 110.173 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.015 ' HB3' HD21 ' A' ' 68' ' ' LEU . 23.3 m-30 -53.04 -53.69 46.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.963 -0.562 . . . . 74.04 110.96 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -64.12 -39.95 95.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.651 -0.704 . . . . 73.22 111.146 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -20.18 65.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.014 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.808 ' HB3' HD12 ' A' ' 99' ' ' LEU . 49.5 m -76.1 -12.73 60.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 53.01 111.03 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.62 36.14 5.18 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.684 -0.77 . . . . 64.31 112.964 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.5 143.77 47.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.808 -0.441 . . . . 74.05 109.808 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.608 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 Cg_exo -77.45 158.09 32.7 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.274 2.65 . . . . 64.35 112.333 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 53.0 mt-30 -53.26 -47.52 95.71 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 113.807 1.04 . . . . 65.42 113.807 -176.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.14 -19.15 40.09 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.089 1.859 . . . . 74.1 112.481 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.22 -31.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.988 -0.551 . . . . 64.22 109.987 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 1.015 HD21 ' HB3' ' A' ' 58' ' ' PHE . 44.9 mt -68.61 -49.42 59.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 74.3 110.309 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.74 67.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.163 -0.926 . . . . 73.01 110.602 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -44.15 92.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.469 -0.567 . . . . 73.23 109.469 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.752 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.1 mt -66.04 -48.47 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.504 . . . . 60.43 109.688 175.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.627 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 14.7 t90 -60.4 -45.69 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.923 -1.035 . . . . 65.05 111.73 -174.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.05 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 63.15 110.84 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.533 HD11 ' O ' ' A' ' 105' ' ' PRO . 15.6 mt -81.26 -30.9 33.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 75.32 112.018 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . . . -64.2 -71.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.793 -170.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.603 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 9.0 p-10 -85.15 95.75 9.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.853 0.835 . . . . 72.4 108.774 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.9 mtm -51.62 -32.0 27.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.081 -1.418 . . . . 73.35 112.834 -175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.36 -13.27 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 72.24 110.823 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.66 67.98 0.9 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.486 -0.779 . . . . 73.31 109.555 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -101.25 -29.01 12.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.105 -0.952 . . . . 54.04 109.746 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.627 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 84.86 19.87 58.84 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.561 -0.745 . . . . 63.42 112.511 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -122.56 -31.84 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.898 -0.178 . . . . 74.13 110.605 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.587 ' HE3' ' HZ ' ' A' ' 58' ' ' PHE . 14.5 ptp 44.87 106.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.605 1.191 . . . . 72.43 113.361 -174.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.1 171.6 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.468 -0.787 . . . . 74.13 109.369 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.92 -28.02 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.255 0.222 . . . . 74.1 110.665 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.47 -56.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 74.13 109.83 174.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.603 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 18.6 mp0 -62.65 -37.45 86.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 73.04 111.249 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.15 -28.97 68.56 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.173 -0.329 . . . . 75.44 110.702 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.6 t -65.24 -23.11 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 74.22 110.925 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.506 HD11 HD21 ' A' ' 108' ' ' LEU . 14.0 tt -105.4 -25.8 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.039 0.447 . . . . 54.14 110.562 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -69.2 -36.32 77.16 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.308 0.484 . . . . 63.12 112.308 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -24.84 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.61 -0.268 . . . . 74.32 111.362 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -69.99 -36.63 75.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.659 0.266 . . . . 73.24 110.343 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.752 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.1 tp -64.32 -39.42 93.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 72.53 110.527 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.424 HD11 ' HE1' ' A' ' 58' ' ' PHE . 37.9 mt -62.26 -46.61 96.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 64.04 109.741 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -58.27 -46.76 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.991 -1.004 . . . . 72.14 110.379 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.78 -38.51 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.34 111.835 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HD2' HD13 ' A' ' 71' ' ' ILE . 40.3 mttm -66.85 -41.77 86.8 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.708 0.262 . . . . 74.24 111.708 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' A' ' 61' ' ' SER . 64.4 mt -70.87 -20.49 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.069 0.461 . . . . 74.01 110.47 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -75.33 -26.75 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 64.12 110.08 172.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.75 19.58 6.86 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.898 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.51 168.57 10.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.459 0.647 . . . . 72.51 111.542 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -147.08 149.02 32.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.175 -0.92 . . . . 74.42 109.791 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.804 HD22 ' HD3' ' A' ' 109' ' ' PRO . 19.3 tp -143.01 146.11 35.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.594 -0.891 . . . . 72.42 108.594 -178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.533 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.2 Cg_endo -85.08 -168.05 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.017 1.811 . . . . 74.31 112.248 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 p -73.89 -4.65 36.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.327 0.584 . . . . 73.31 111.076 -177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.66 99.82 12.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.381 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.738 HD22 ' HD2' ' A' ' 109' ' ' PRO . 3.5 tt -71.08 139.16 84.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.862 -1.162 . . . . 64.5 107.862 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.804 ' HD3' HD22 ' A' ' 104' ' ' LEU . 17.2 Cg_exo -69.91 150.22 66.98 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 121.596 1.53 . . . . 65.15 112.443 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 74.1 Cg_endo -77.43 -7.14 16.8 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.676 2.251 . . . . 75.45 111.714 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.57 -22.56 8.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 64.3 110.041 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 65.6 mtp -92.56 -46.67 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 64.11 110.468 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -79.16 -18.93 52.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 73.41 110.316 177.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 47.4 mt-30 . . . . . 0 C--O 1.234 0.261 0 CA-C-N 115.472 -0.785 . . . . 74.54 112.014 173.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.527 0.203 . . . . 70.23 110.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.84 59.42 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.542 -0.837 . . . . 71.24 113.493 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 m80 67.06 156.48 0.11 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.866 0.841 . . . . 75.32 113.086 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 87' ' ' GLU . 2.5 p80 -174.32 154.91 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.63 -1.168 . . . . 64.33 108.427 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -157.17 117.74 3.56 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.878 -0.329 . . . . 73.52 111.044 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -138.18 92.22 2.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.592 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -82.41 80.37 8.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 71.01 109.451 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -92.07 110.77 22.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.649 -0.705 . . . . 74.2 110.124 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -107.03 97.84 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.773 -0.649 . . . . 70.31 109.94 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -134.48 121.62 21.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.139 -0.482 . . . . 72.52 109.953 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.6 ptp -159.18 140.99 13.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.595 -0.729 . . . . 75.42 109.779 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 -75.6 0.27 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.38 -0.6 . . . . 64.45 109.38 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.477 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 77.8 mt-30 -144.74 155.56 43.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.395 -0.965 . . . . 74.42 108.395 171.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 87.4 t80 -101.93 104.33 35.07 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.47 -0.492 . . . . 70.43 110.226 173.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.616 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 1.3 Cg_endo -85.57 138.75 6.41 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.152 2.568 . . . . 62.15 111.346 175.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -88.3 102.02 3.31 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.644 0.259 . . . . 73.23 110.649 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.616 ' HD3' ' O ' ' A' ' 15' ' ' PRO . 72.0 Cg_endo -91.48 -22.04 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.628 2.219 . . . . 74.22 113.535 -175.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 56.44 37.1 28.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.12 0.486 . . . . 73.15 110.716 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.64 40.98 0.95 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.624 -0.716 . . . . 71.34 111.978 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.35 53.64 3.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.118 -0.563 . . . . 73.23 112.191 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -126.73 7.17 6.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.215 0.531 . . . . 70.14 110.463 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 tp -102.17 -18.51 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.673 0.749 . . . . 73.3 109.545 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.28 36.49 3.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.889 -1.05 . . . . 64.3 110.502 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.6 m -50.61 -52.58 38.05 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.467 0.543 . . . . 74.11 112.467 -175.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -115.64 22.95 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.364 0.602 . . . . 72.02 112.028 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.83 150.91 50.13 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.42 -0.809 . . . . 61.14 110.494 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.589 ' HB ' ' NE2' ' A' ' 114' ' ' GLN . 73.7 mt -92.55 109.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.329 0.585 . . . . 52.3 110.215 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.541 ' OG1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.01 166.89 22.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.201 -0.909 . . . . 71.44 110.888 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.69 -24.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 72.42 109.748 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HB3' ' HE1' ' A' ' 14' ' ' PHE . 3.1 mp0 -64.24 -47.43 79.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.467 -0.788 . . . . 64.24 110.356 172.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.541 ' HG2' ' OG1' ' A' ' 28' ' ' THR . 6.6 mm-40 -63.34 -36.33 83.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.418 0.628 . . . . 73.12 109.642 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -57.56 -42.31 82.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.192 -0.913 . . . . 75.5 110.209 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.83 57.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.042 -0.527 . . . . 63.12 111.013 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.699 ' HB3' ' HE1' ' A' ' 92' ' ' MET . 42.6 mmtt -58.74 -33.72 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.881 0.697 . . . . 71.42 112.881 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -27.45 67.82 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.675 -0.41 . . . . 73.04 111.693 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.06 -42.99 55.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.229 -0.442 . . . . 73.01 110.95 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -66.85 -41.09 87.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 72.12 110.518 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 65.0 mm-40 -69.41 -36.82 77.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.765 -0.457 . . . . 72.21 109.765 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.8 ' HA ' HD11 ' A' ' 42' ' ' LEU . 52.5 t80 -61.76 -37.19 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.793 -0.64 . . . . 73.12 110.113 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.43 -41.98 86.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 74.24 109.927 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 m -76.23 -17.05 59.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.454 -0.794 . . . . 61.52 112.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 HD13 ' A' ' 49' ' ' ILE . 53.4 mt -69.6 -4.4 19.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.102 0.408 . . . . 71.23 112.102 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 mttt 59.27 61.49 4.4 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.674 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 33.3 Cg_exo -57.54 139.55 90.52 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.192 1.928 . . . . 73.44 111.986 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 45' ' ' ILE . 3.6 mp -71.14 -57.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 73.51 110.303 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.459 ' HB2' ' HE1' ' A' ' 48' ' ' PHE . 19.3 m -141.27 51.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.966 -0.561 . . . . 75.13 110.335 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.08 3.8 72.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.872 -0.68 . . . . 64.24 111.726 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' HE1' ' HB2' ' A' ' 46' ' ' SER . 44.2 p90 -142.76 161.25 38.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.079 -0.341 . . . . 72.04 110.079 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.834 HD13 HD13 ' A' ' 42' ' ' LEU . 25.9 pt -115.55 -164.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.007 -0.542 . . . . 64.51 110.05 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -155.93 167.93 28.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.963 -0.562 . . . . 71.23 109.573 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.48 -23.19 62.33 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.479 -0.391 . . . . 62.23 112.809 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -73.15 -38.25 66.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 64.33 110.233 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.72 -34.04 62.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 65.32 110.113 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.48 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.678 -0.692 . . . . 70.32 110.913 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.639 ' HA ' HD23 ' A' ' 68' ' ' LEU . 14.6 ptt180 -60.48 -35.3 75.57 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.189 -0.46 . . . . 72.0 110.645 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -64.3 -53.43 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.424 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.53 -54.05 51.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.817 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.686 ' HB2' HD21 ' A' ' 68' ' ' LEU . 10.5 m-85 -64.17 -38.55 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 74.22 110.975 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -64.2 -43.47 94.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 72.42 109.711 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -19.68 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.939 -1.028 . . . . 63.41 110.945 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 m -76.13 -5.54 47.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.5 . . . . 43.11 111.208 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.51 32.89 5.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 73.31 112.917 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 34.1 mt -110.52 144.17 29.66 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.528 0.204 . . . . 75.52 110.563 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 28.3 Cg_exo -62.99 153.02 76.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.961 2.44 . . . . 52.35 112.169 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.5 tt0 -58.46 -47.23 99.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.036 -0.529 . . . . 71.23 112.286 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.3 Cg_endo -54.4 -41.34 77.54 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.026 1.817 . . . . 72.14 112.211 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.418 HG11 ' HZ3' ' A' ' 98' ' ' LYS . 93.9 t -67.09 -45.3 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 44.4 110.358 177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 58' ' ' PHE . 2.3 tm? -57.56 -48.6 78.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.313 -0.858 . . . . 60.03 110.732 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.67 79.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.497 . . . . 71.21 111.244 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -42.9 78.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.024 -0.535 . . . . 70.21 110.008 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.62 -42.97 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.488 . . . . 73.44 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -64.56 -40.1 94.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.844 0.354 . . . . 75.11 110.549 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.84 62.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 70.31 111.425 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD11 HD23 ' A' ' 94' ' ' LEU . 3.6 mt -94.54 -25.04 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 63.23 111.668 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' ' HE3' ' A' ' 83' ' ' MET . . . -67.85 -71.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.369 0.507 . . . . 61.14 112.369 -173.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.658 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 5.0 p-10 -90.74 95.32 10.08 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.237 0.541 . . . . 75.32 109.84 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -49.19 -35.7 17.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.035 -0.984 . . . . 65.42 112.48 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -78.94 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.841 0.353 . . . . 75.41 110.692 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.658 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.4 t-20 50.44 71.67 0.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 73.34 109.811 -170.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.4 -19.03 28.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.971 -1.013 . . . . 61.12 109.743 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.43 -15.3 46.5 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.515 -0.766 . . . . 71.23 112.489 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -97.42 -40.61 8.61 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.66 -0.318 . . . . 71.43 110.828 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.429 ' HE3' ' CB ' ' A' ' 75' ' ' ALA . 41.7 ttm 60.73 93.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.259 0.974 . . . . 72.01 109.938 -171.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.4 t0 -74.27 166.57 23.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.489 -0.56 . . . . 74.22 109.489 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.61 -19.5 49.41 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.047 -0.524 . . . . 74.42 111.401 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -56.49 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 63.22 110.202 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 90' ' ' ILE . 2.6 mp0 -61.33 -42.62 98.98 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.946 0.403 . . . . 75.51 110.523 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' A' ' 42' ' ' LEU . 70.7 t80 -60.83 -29.2 69.35 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.006 -0.278 . . . . 72.52 111.056 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 t -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 73.42 110.997 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 87' ' ' GLU . 16.2 tt -97.11 -25.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.092 0.473 . . . . 54.5 110.014 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.68 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 62.43 111.969 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.699 ' HE1' ' HB3' ' A' ' 34' ' ' LYS . 16.7 ptm -61.64 -30.36 70.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 65.43 111.333 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' HD3' ' HE2' ' A' ' 112' ' ' MET . 32.8 tttp -72.25 -26.14 61.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.346 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 74' ' ' LEU . 1.4 mp -64.62 -44.36 90.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.623 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.472 HD11 ' H ' ' A' ' 95' ' ' ILE . 3.2 mp -58.3 -48.47 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.145 0.498 . . . . 54.22 109.722 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 87.3 tttt -63.08 -44.81 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.463 -0.789 . . . . 64.31 110.706 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.63 -43.56 89.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.471 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.418 ' HZ3' HG11 ' A' ' 67' ' ' VAL . 41.0 mtpt -71.96 -28.63 63.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.823 -0.351 . . . . 71.03 110.742 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.9 -8.33 55.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.338 . . . . 74.15 110.833 174.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 29.4 mm-40 -91.48 -1.4 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 73.52 110.026 173.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.1 61.55 1.08 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.916 -0.659 . . . . 74.51 112.072 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -143.7 171.49 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.381 0.61 . . . . 74.15 111.65 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.95 164.0 38.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.674 -1.148 . . . . 71.45 108.246 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -159.93 158.91 27.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 121.094 -0.243 . . . . 73.14 111.257 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' HD23 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -75.41 -171.68 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.371 2.714 . . . . 75.3 112.485 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 p -83.24 5.17 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.351 0.596 . . . . 65.51 111.584 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.09 121.67 36.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.577 -0.738 . . . . 51.45 111.135 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 2.7 mm? -79.4 149.26 71.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.794 -0.447 . . . . 64.53 109.794 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 18.2 Cg_exo -66.63 151.58 82.44 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 121.94 1.76 . . . . 74.3 110.92 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 39.4 Cg_exo -62.71 -23.54 74.58 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.709 2.273 . . . . 63.45 113.02 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -30.33 42.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.304 0.573 . . . . 71.1 109.986 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.421 ' HG2' HG13 ' A' ' 90' ' ' ILE . 16.7 ttt -81.16 -25.55 36.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.339 -0.846 . . . . 75.1 109.504 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' A' ' 115' ' ' GLN . 5.9 mmmm -76.2 -43.74 41.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.393 -0.821 . . . . 74.03 109.304 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.589 ' NE2' ' HB ' ' A' ' 27' ' ' ILE . 45.5 mt-30 74.05 -34.91 0.29 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.417 -1.265 . . . . 54.34 111.421 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 113' ' ' LYS . 62.6 tt0 -118.71 94.09 47.14 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 114.663 -1.153 . . . . 71.3 109.25 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.4 136.1 30.49 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.762 2.308 . . . . 71.0 112.173 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.0 m -89.83 154.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 74.34 110.789 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.8 34.76 0.98 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 73.21 110.75 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.1 mt -97.64 82.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.262 0.553 . . . . 62.4 110.224 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.7 m -144.85 -49.26 0.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.838 -0.619 . . . . 60.1 109.773 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.237 -0.887 . . . . 63.33 109.865 174.198 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.147 -0.316 . . . . 72.25 110.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.03 39.6 2.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.944 -0.646 . . . . 74.12 112.174 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -88.57 99.28 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.037 0.446 . . . . 70.52 110.092 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.43 135.16 35.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.873 -0.603 . . . . 74.24 109.695 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.517 ' HE1' ' HA ' ' A' ' 84' ' ' ASP . 10.3 t60 -63.47 101.63 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.151 -0.314 . . . . 73.25 110.151 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -118.44 85.84 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.75 -0.463 . . . . 75.31 109.75 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -175.45 114.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 70.41 110.285 -175.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -66.52 122.04 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.425 -0.954 . . . . 72.34 108.425 172.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -63.99 159.42 20.06 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.999 0.74 . . . . 74.14 112.999 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -140.94 90.56 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.769 -1.105 . . . . 71.05 109.709 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.538 ' HG2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -155.02 120.48 5.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.272 0.558 . . . . 74.42 110.947 176.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.18 16.1 0.93 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.467 -0.788 . . . . 72.34 110.231 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -90.32 95.51 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.43 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 36.6 p90 -84.49 134.58 42.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 73.01 109.723 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 7.0 Cg_exo -72.23 136.4 26.67 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.418 2.079 . . . . 72.12 112.222 -178.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -81.69 112.03 31.0 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.58 . . . . 64.44 110.088 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HG3' HG22 ' A' ' 29' ' ' VAL . 33.8 Cg_exo -58.5 139.75 91.92 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.419 2.746 . . . . 71.31 112.947 -175.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -121.94 110.63 16.08 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.131 -0.941 . . . . 74.52 110.077 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.04 163.9 45.77 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.818 -0.706 . . . . 74.24 111.746 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.41 -56.39 2.75 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.655 -0.783 . . . . 53.31 111.594 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -86.51 138.58 31.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.433 -0.58 . . . . 73.21 109.433 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.33 124.23 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.348 0.594 . . . . 65.11 110.759 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.82 31.76 0.84 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.417 -0.81 . . . . 65.34 110.381 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.616 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 14.4 m -61.85 -30.7 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.691 -0.686 . . . . 73.04 111.381 -175.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.468 ' HH2' HD13 ' A' ' 104' ' ' LEU . 38.6 m95 -113.82 9.28 17.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.335 0.588 . . . . 73.42 111.292 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 171.84 7.18 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.525 -0.761 . . . . 75.34 110.602 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG21 ' HG2' ' A' ' 15' ' ' PRO . 87.6 mt -108.96 129.55 63.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.242 -0.435 . . . . 60.45 109.918 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.94 -178.47 4.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.725 -0.671 . . . . 73.43 110.691 -176.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.763 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 48.6 t -68.91 -32.62 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.97 0.414 . . . . 73.21 110.861 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -30.13 67.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.035 0.445 . . . . 61.43 109.86 175.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -78.23 -38.06 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.878 -0.601 . . . . 72.21 109.841 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.763 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -64.53 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.268 0.556 . . . . 62.23 110.141 178.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.59 57.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.554 -0.748 . . . . 75.32 111.222 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.2 tmtm? -59.19 -44.66 92.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 31.2 p80 -76.34 -28.98 57.07 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 120.206 -0.598 . . . . 73.24 111.327 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.05 -43.37 73.75 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.407 0.442 . . . . 63.31 111.754 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -60.66 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 61.23 111.422 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.92 -33.58 51.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 72.22 111.151 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' HZ ' HD11 ' A' ' 49' ' ' ILE . 2.3 t80 -64.78 -34.23 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 60.42 110.367 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.27 -38.37 71.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 72.14 110.252 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -75.79 -16.18 60.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.45 -0.796 . . . . 75.0 112.28 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD12 ' HD2' ' A' ' 57' ' ' PHE . 70.4 mt -75.33 -11.34 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.545 0.212 . . . . 73.44 111.215 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.88 65.7 1.94 Allowed Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.57 . . . . 74.45 112.07 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.81 136.48 23.15 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.011 1.807 . . . . 71.42 111.011 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.9 mm -90.82 -77.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.815 -0.354 . . . . 54.52 111.402 -176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -111.57 48.18 0.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.025 0.44 . . . . 75.14 110.845 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 21.01 79.24 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.761 -0.654 . . . . 51.44 112.962 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 22.0 p90 -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.562 -0.375 . . . . 74.35 110.286 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.604 HD11 ' HZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -138.74 171.62 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.174 -0.676 . . . . 73.42 109.174 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.683 HG21 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -131.87 -164.97 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.693 -0.403 . . . . 65.32 110.787 178.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.683 ' H ' HG21 ' A' ' 50' ' ' THR . . . -51.34 -37.13 38.69 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 123.291 0.369 . . . . 74.0 113.699 -175.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.37 -50.29 71.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.205 0.526 . . . . 72.44 111.264 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB3' HD13 ' A' ' 42' ' ' LEU . 3.5 mp0 -66.84 -46.28 75.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 63.25 110.292 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.06 79.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 71.4 111.426 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 79.5 ttt180 -60.04 -47.4 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 62.21 111.184 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 38.3 m-80 -67.56 -31.65 71.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.565 -0.289 . . . . 65.33 111.163 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' HD2' HD12 ' A' ' 42' ' ' LEU . 50.8 t80 -58.68 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 72.41 111.548 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.735 ' HB2' HD23 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -79.33 -24.13 43.0 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.784 -0.766 . . . . 73.54 111.546 -175.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.86 -26.92 63.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.164 0.507 . . . . 75.41 110.003 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -63.69 -40.26 96.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 70.13 109.649 176.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -66.68 -20.05 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.53 . . . . 53.45 111.616 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.4 38.41 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.46 -0.876 . . . . 73.34 113.647 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HB2' HD21 ' A' ' 68' ' ' LEU . 54.2 mt -101.41 154.46 37.21 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.813 0.307 . . . . 70.15 110.357 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.582 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.4 Cg_exo -58.48 149.41 75.16 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.826 2.351 . . . . 74.01 111.861 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.531 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.8 tt0 -59.96 -46.76 98.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.749 0.648 . . . . 74.14 112.749 -174.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 9.8 Cg_endo -54.63 -40.77 82.62 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.916 1.744 . . . . 73.41 111.497 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.854 HG11 ' HE2' ' A' ' 98' ' ' LYS . 50.6 t -62.2 -44.31 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.317 -0.856 . . . . 61.13 110.812 175.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.735 HD23 ' HB2' ' A' ' 58' ' ' PHE . 84.1 mt -63.15 -53.47 52.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.722 -0.672 . . . . 74.03 111.105 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.88 70.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 55.11 110.984 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -69.42 -37.61 77.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.538 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.847 HD12 HG12 ' A' ' 95' ' ' ILE . 26.9 mt -62.84 -38.83 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.9 -0.407 . . . . 64.35 109.9 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.423 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 19.1 t90 -66.66 -45.2 79.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 72.2 110.522 177.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -19.28 65.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.451 0.643 . . . . 71.12 110.46 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.793 HD21 ' HG ' ' A' ' 108' ' ' LEU . 10.8 mt -91.71 -27.2 18.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.229 -0.896 . . . . 74.32 111.771 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.55 -71.53 0.18 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.94 0.4 . . . . 65.35 110.884 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 96.69 6.16 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 107.601 -1.259 . . . . 52.35 107.601 169.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.7 mtm -54.25 -30.12 49.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.238 -1.346 . . . . 71.53 113.046 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -85.3 -1.34 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.038 -0.414 . . . . 73.43 110.195 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER 55.07 77.42 0.21 Allowed 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.707 -0.849 . . . . 53.52 108.707 -169.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.12 -23.88 24.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.807 -1.088 . . . . 75.25 109.08 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.423 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 75.81 28.8 60.28 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.455 -0.793 . . . . 60.21 112.932 174.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 83' ' ' MET . 34.1 ptt180 -165.45 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 64.53 110.502 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.505 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 7.1 ptp 58.65 177.39 0.07 Allowed 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.43 -1.259 . . . . 73.33 112.531 174.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.517 ' HA ' ' HE1' ' A' ' 5' ' ' HIS . 7.5 t70 -134.09 -176.67 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.771 -0.825 . . . . 70.13 108.771 172.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.538 ' HB2' ' HG2' ' A' ' 11' ' ' MET . 74.0 mm-40 -56.04 -29.96 61.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.02 0.378 . . . . 51.1 112.02 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.56 -44.32 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.981 -0.287 . . . . 71.23 110.979 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 19.4 mp0 -68.6 -37.89 80.19 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.417 0.627 . . . . 75.52 110.345 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.28 -34.71 77.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.691 -0.686 . . . . 74.53 110.611 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -76.12 -17.8 59.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.969 -0.56 . . . . 73.11 111.58 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.0 tt -97.31 -40.46 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.768 -0.373 . . . . 72.42 111.407 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -27.48 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 63.54 111.81 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -28.48 68.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 74.23 111.838 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.616 ' HE2' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -79.0 -29.37 43.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.924 -0.398 . . . . 61.23 109.924 -177.049 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.66 HD21 HG12 ' A' ' 71' ' ' ILE . 21.3 tp -61.46 -45.67 93.3 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.096 -0.705 . . . . 63.34 109.096 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.847 HG12 HD12 ' A' ' 71' ' ' ILE . 47.8 mt -55.13 -45.31 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.994 -1.003 . . . . 74.15 111.057 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.49 -52.41 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.677 -0.692 . . . . 74.35 111.618 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.84 -26.34 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.938 -0.305 . . . . 72.25 110.864 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.854 ' HE2' HG11 ' A' ' 67' ' ' VAL . 67.4 tttt -64.65 -28.76 69.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.452 . . . . 65.31 109.922 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 95' ' ' ILE . 67.3 mt -60.17 -24.41 64.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.442 -0.799 . . . . 71.22 111.46 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -80.34 -9.19 59.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.47 -0.332 . . . . 73.42 111.096 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.6 54.1 0.41 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 74.51 112.514 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -132.96 168.43 18.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.615 -0.513 . . . . 74.51 109.615 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.782 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 90.9 mt-30 -136.4 -51.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.329 -0.148 . . . . 74.44 111.144 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD13 ' HH2' ' A' ' 25' ' ' TRP . 7.4 mp 65.75 165.37 0.12 Allowed Pre-proline 0 N--CA 1.469 0.505 0 O-C-N 123.568 0.542 . . . . 75.12 111.543 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.46 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.5 Cg_endo -98.38 -164.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.3 2.667 . . . . 73.34 112.938 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.6 m -81.79 6.64 14.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 71.55 111.344 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.44 109.56 20.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.771 -0.65 . . . . 73.24 110.922 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.793 ' HG ' HD21 ' A' ' 74' ' ' LEU . 35.5 mt -74.4 146.26 83.74 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.267 -0.424 . . . . 71.34 110.834 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 13.9 Cg_exo -70.22 152.8 67.09 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.332 2.022 . . . . 54.34 111.53 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.24 -4.91 16.17 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.661 2.241 . . . . 73.34 112.451 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.2 t -83.17 -30.73 8.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.984 -0.553 . . . . 73.25 110.911 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' A' ' 93' ' ' LYS . 72.2 mtp -76.42 -38.15 55.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.379 . . . . 74.54 110.483 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.48 -20.95 25.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.102 -0.499 . . . . 74.03 110.461 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.81 -169.19 0.19 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.585 -0.734 . . . . 64.55 110.791 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -112.48 99.49 47.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.948 -0.39 . . . . 71.25 109.948 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.63 134.24 34.66 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.999 2.466 . . . . 74.05 112.519 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.9 m -120.76 114.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.593 -0.73 . . . . 73.44 110.8 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -106.89 -24.52 12.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.62 . . . . 70.02 109.884 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.3 mt 61.04 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.238 -0.892 . . . . 70.04 110.467 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 m -153.53 116.96 4.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.8 -0.636 . . . . 72.22 110.124 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.604 -0.713 . . . . 65.44 109.807 178.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 tpp . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 109.816 -0.439 . . . . 75.21 109.816 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.01 -4.94 30.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.518 -0.849 . . . . 72.22 112.276 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -81.2 64.44 5.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 54.32 109.721 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.63 97.72 5.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.506 -0.77 . . . . 63.5 109.877 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -141.11 94.22 2.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.214 -0.448 . . . . 75.13 109.966 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -164.34 97.74 0.8 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.887 -0.597 . . . . 74.12 109.757 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -109.39 -44.59 3.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.93 -0.577 . . . . 74.1 109.974 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -157.47 103.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.813 -0.81 . . . . 74.34 108.813 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -137.92 176.94 8.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.772 0.32 . . . . 71.13 111.15 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.65 157.9 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.8 -0.637 . . . . 75.13 110.488 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -89.2 153.03 21.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 75.44 110.383 177.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.54 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.622 0.249 . . . . 74.34 111.653 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' HB3' ' H ' ' A' ' 14' ' ' PHE . 28.1 mm-40 60.81 -163.31 0.25 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.687 -0.688 . . . . 55.54 112.704 174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.765 ' HD1' ' HE ' ' A' ' 32' ' ' ARG . 56.3 m-85 -136.12 142.78 41.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 74.32 109.857 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.66 152.28 81.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.502 2.135 . . . . 62.24 111.274 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.677 ' H ' ' HD2' ' A' ' 17' ' ' PRO . 15.0 m -125.08 -52.1 0.03 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 112.454 0.538 . . . . 65.23 112.454 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.677 ' HD2' ' H ' ' A' ' 16' ' ' THR . 56.3 Cg_endo -69.59 160.2 50.65 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.812 1.675 . . . . 64.51 112.591 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -138.97 178.0 7.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.606 -0.724 . . . . 74.31 110.222 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.96 -171.55 24.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.529 -0.843 . . . . 44.43 112.291 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.37 93.41 1.54 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.111 -0.566 . . . . 64.53 111.988 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 p -95.84 161.02 14.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.953 0.406 . . . . 63.23 110.747 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 22' ' ' LEU . 3.9 tt -81.77 -29.09 32.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.156 -1.053 . . . . 72.3 108.156 174.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.0 94.56 3.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.627 -1.169 . . . . 44.44 111.081 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -75.59 -27.83 58.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.855 0.836 . . . . 65.14 109.254 173.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.62 ' O ' ' HG3' ' A' ' 112' ' ' MET . 86.0 m95 -89.14 24.44 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.761 -1.109 . . . . 74.4 110.832 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.91 154.44 18.36 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.795 -1.093 . . . . 71.1 109.91 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.3 83.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.319 0.58 . . . . 64.32 109.577 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.66 -177.16 3.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.092 -0.958 . . . . 54.34 110.886 -177.741 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' H ' HG23 ' A' ' 28' ' ' THR . 7.2 p -54.71 -47.32 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.53 0.567 . . . . 53.32 112.53 -176.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -48.55 76.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.787 0.327 . . . . 62.33 110.164 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' O ' ' HE3' ' A' ' 92' ' ' MET . 5.0 mm-40 -56.29 -50.77 70.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.59 -0.732 . . . . 73.31 109.643 177.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.765 ' HE ' ' HD1' ' A' ' 14' ' ' PHE . 5.8 tpt180 -64.72 -41.62 95.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.879 . . . . 61.52 111.156 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.01 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.463 0.173 . . . . 72.23 111.318 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -57.56 -25.91 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 63.54 112.023 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' HB3' ' HE2' ' A' ' 92' ' ' MET . 11.7 p-80 -56.32 -35.77 67.94 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 120.773 0.321 . . . . 64.23 110.309 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.95 -50.09 63.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.803 -0.635 . . . . 73.14 110.909 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -62.66 -49.12 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 74.11 110.824 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.24 -34.76 76.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 73.03 111.349 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' HE1' HD11 ' A' ' 49' ' ' ILE . 56.5 t80 -64.18 -40.44 96.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 73.05 110.651 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.85 -38.5 86.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.081 0.467 . . . . 73.03 110.054 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -76.51 -18.08 58.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 63.45 111.474 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD21 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -65.12 -17.86 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 72.03 110.771 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? 65.64 72.51 0.45 Allowed Pre-proline 0 C--O 1.234 0.275 0 N-CA-C 108.653 -0.869 . . . . 64.12 108.653 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.71 138.7 87.37 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.594 2.196 . . . . 71.13 112.441 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.75 91.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.365 -0.834 . . . . 74.42 109.155 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 61.21 24.29 14.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.983 -0.553 . . . . 62.03 111.775 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.32 11.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.344 -0.931 . . . . 61.32 113.738 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -130.13 169.6 15.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.55 0.675 . . . . 75.02 111.292 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.63 -177.42 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.58 -0.526 . . . . 74.33 109.58 177.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 t -161.53 177.84 9.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.763 -0.198 . . . . 73.41 110.484 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.64 68.26 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 116.193 -0.458 . . . . 74.45 113.27 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.82 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 73.44 111.289 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 11.0 mm-40 -72.62 -33.51 66.71 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.632 -0.427 . . . . 73.51 110.239 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.73 29.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 73.31 110.737 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -59.3 -40.71 87.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.557 -0.292 . . . . 75.3 111.305 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -66.8 -53.28 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 63.24 111.119 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.445 ' CG ' HD21 ' A' ' 42' ' ' LEU . 54.5 t80 -65.02 -48.12 75.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.356 -0.384 . . . . 75.24 111.034 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.83 ' HB3' HD21 ' A' ' 68' ' ' LEU . 2.1 m-85 -59.25 -41.91 89.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.37 -0.377 . . . . 70.11 110.528 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.89 -41.2 97.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.193 0.52 . . . . 75.21 110.132 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -74.73 -5.19 41.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.751 -0.659 . . . . 73.3 110.583 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -84.14 -8.04 59.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 75.15 110.666 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.66 5.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.526 -0.845 . . . . 72.11 112.761 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 HD22 HG11 ' A' ' 67' ' ' VAL . 78.0 mt -129.65 143.45 49.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.235 -0.283 . . . . 73.32 110.235 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 66.7 Cg_endo -76.21 163.69 32.29 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.582 2.188 . . . . 75.15 113.014 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.62 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -50.91 -52.12 60.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.292 -0.867 . . . . 73.12 112.996 -175.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 53.0 Cg_exo -54.5 -36.3 88.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.104 1.869 . . . . 65.32 112.489 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.608 HG12 ' HZ2' ' A' ' 98' ' ' LYS . 63.4 t -72.32 -41.82 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.56 178.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 58' ' ' PHE . 53.7 mt -61.22 -51.43 69.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 72.21 110.528 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.81 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.213 -0.903 . . . . 62.14 111.219 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.18 -39.96 95.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.39 -0.368 . . . . 63.42 111.005 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.759 HG12 HD23 ' A' ' 94' ' ' LEU . 97.7 mt -68.59 -44.63 82.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.156 0.503 . . . . 65.24 110.085 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.761 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.5 t90 -63.94 -42.67 97.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.755 . . . . 74.34 111.342 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -12.83 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.845 0.355 . . . . 75.14 111.206 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.878 HD22 ' HG ' ' A' ' 108' ' ' LEU . 22.8 mt -97.34 -38.38 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 63.43 111.993 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . . . -62.98 -69.13 0.28 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.517 -0.311 . . . . 74.44 111.57 -169.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -83.91 95.62 8.56 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 107.645 -1.242 . . . . 74.1 107.645 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.474 ' SD ' ' HE3' ' A' ' 113' ' ' LYS . 48.0 mtm -52.94 -32.55 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.6 -1.182 . . . . 74.33 113.38 -173.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -77.89 -11.87 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.488 0.661 . . . . 74.23 109.704 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 49.17 76.17 0.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.587 -1.188 . . . . 71.22 111.059 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.7 -24.95 16.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.093 -1.412 . . . . 75.34 108.905 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.761 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 92.64 29.93 10.3 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.302 -0.863 . . . . 71.52 112.103 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 82' ' ' ARG . 12.1 ptm85 -125.45 -48.56 1.69 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.854 -0.339 . . . . 71.04 111.799 -175.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.577 ' HA ' ' HB2' ' A' ' 87' ' ' GLU . 12.2 ptp 43.14 74.91 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 72.03 111.455 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.99 -176.73 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.692 -0.855 . . . . 61.35 108.692 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.89 -39.3 53.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.053 0.76 . . . . 74.43 113.053 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.58 -48.6 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 118.023 0.374 . . . . 64.24 110.863 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 83' ' ' MET . 1.8 mp0 -66.12 -30.71 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.229 0.537 . . . . 70.51 110.891 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.99 -28.58 62.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.025 0.44 . . . . 75.55 110.682 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.552 ' O ' ' HE1' ' A' ' 92' ' ' MET . 58.4 m -66.78 -8.0 25.26 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.102 -0.499 . . . . 72.54 112.043 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 87' ' ' GLU . 10.9 tt -110.9 -20.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.086 0.469 . . . . 74.42 110.595 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -76.2 -36.26 58.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.02 112.278 -173.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.552 ' HE1' ' O ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -72.5 -22.23 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.488 -0.324 . . . . 74.45 111.828 -174.095 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -69.08 -38.9 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 74.13 110.205 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.759 HD23 HG12 ' A' ' 71' ' ' ILE . 9.0 tp -65.76 -40.86 92.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.088 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.9 mt -57.93 -47.32 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 73.2 109.998 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -55.37 -41.52 72.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.278 -0.874 . . . . 63.11 111.414 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.64 -34.28 19.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 63.42 111.448 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.608 ' HZ2' HG12 ' A' ' 67' ' ' VAL . 8.1 mtpm? -71.32 -27.86 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.891 -0.323 . . . . 72.32 111.058 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.94 -12.39 59.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.004 0.43 . . . . 71.41 110.731 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.55 -5.45 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.372 0.606 . . . . 71.22 109.666 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.06 49.52 2.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.894 -0.67 . . . . 38.83 112.085 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.69 161.18 20.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.302 0.572 . . . . 73.12 111.623 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -136.13 150.48 49.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.722 -1.126 . . . . 65.2 109.958 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 22.2 tp -153.59 142.62 14.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 5.1 Cg_exo -81.7 -166.0 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.751 2.3 . . . . 73.42 111.893 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.633 ' HA ' HD23 ' A' ' 74' ' ' LEU . 69.9 m -79.9 14.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.213 0.53 . . . . 73.4 111.458 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.95 90.62 3.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.972 -0.558 . . . . 64.23 110.526 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.878 ' HG ' HD22 ' A' ' 74' ' ' LEU . 26.1 mt -67.65 144.59 97.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.449 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 27.6 Cg_exo -62.6 152.31 78.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 121.981 1.787 . . . . 65.22 110.752 175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.98 -20.92 72.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.79 2.326 . . . . 65.0 112.782 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.71 -31.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.222 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.62 ' HG3' ' O ' ' A' ' 25' ' ' TRP . 78.5 mtp -74.42 -44.87 49.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 70.51 110.457 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.474 ' HE3' ' SD ' ' A' ' 77' ' ' MET . 14.7 ptmt -78.67 -12.78 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.208 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 64.6 -176.35 0.17 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.289 -0.869 . . . . 64.21 112.259 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.454 ' HB2' ' HD2' ' A' ' 116' ' ' PRO . 19.6 pt20 -156.82 162.68 27.14 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 115.924 -0.58 . . . . 72.24 109.867 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 115' ' ' GLN . 61.2 Cg_endo -74.85 156.68 43.68 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.21 1.94 . . . . 75.25 111.616 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 p -93.3 141.26 14.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.575 0.703 . . . . 72.11 111.225 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.64 106.7 11.2 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.849 -1.069 . . . . 44.42 110.249 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.8 tt -80.96 -31.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 71.31 110.227 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -149.11 139.25 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.916 -0.584 . . . . 62.02 109.769 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.367 -0.825 . . . . 71.24 109.358 178.562 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mtp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.754 -0.461 . . . . 75.0 109.754 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.12 -166.43 26.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 64.4 112.223 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -71.87 104.96 3.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.816 0.817 . . . . 73.41 111.217 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -141.2 125.84 17.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 75.3 108.498 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -80.84 52.1 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.022 0.439 . . . . 74.11 111.747 -171.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.89 8.22 5.89 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.423 -0.808 . . . . 72.21 112.853 168.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -83.92 -170.34 3.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.606 0.224 . . . . 71.32 111.606 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.419 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 61.1 m-70 59.13 73.56 0.48 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.74 0.65 . . . . 75.41 110.327 -171.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -84.49 24.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.581 -0.736 . . . . 73.51 111.113 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -83.75 81.4 8.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.173 -1.047 . . . . 74.2 108.173 170.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.36 132.35 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.589 -0.732 . . . . 71.22 111.863 -171.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 116' ' ' PRO . . . -141.87 100.3 3.72 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 75.34 109.493 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.11 114.34 13.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.866 -0.606 . . . . 72.45 110.602 -175.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' HD2' ' HD3' ' A' ' 116' ' ' PRO . 36.3 p90 -102.87 150.8 38.12 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.13 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.88 136.23 52.01 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.559 2.173 . . . . 74.42 112.12 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -117.44 151.9 48.73 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.46 -0.791 . . . . 63.53 110.78 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.37 -170.37 0.81 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.597 2.198 . . . . 71.35 112.105 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -128.97 108.31 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.262 0.553 . . . . 71.02 110.672 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.11 92.8 0.1 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.93 -0.653 . . . . 71.0 111.936 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.4 129.12 1.5 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.862 -0.685 . . . . 53.53 112.147 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -97.43 -7.46 31.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 74.11 111.696 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.77 -5.25 15.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.491 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.623 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 8.7 m-20 -82.77 65.8 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.459 0.647 . . . . 74.44 110.33 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.56 HG21 HD12 ' A' ' 97' ' ' LEU . 21.8 m -81.65 -47.03 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 73.14 110.672 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.705 ' HH2' HD12 ' A' ' 104' ' ' LEU . 94.2 m95 -79.92 -21.62 43.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.028 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -66.51 134.33 52.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.817 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -81.03 99.22 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.273 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -71.37 166.8 20.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 71.03 110.387 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -50.84 -42.67 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 122.561 0.344 . . . . 74.44 111.488 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -62.69 -44.54 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 75.52 111.132 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.774 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 6.3 mm-40 -66.56 -31.67 72.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.209 0.528 . . . . 70.21 110.318 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.98 -47.82 67.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 74.33 110.287 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 62.45 112.222 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.774 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 17.6 ptmt -57.94 -26.69 62.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.662 0.245 . . . . 71.41 111.662 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.1 p-80 -60.08 -35.57 75.47 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.741 0.305 . . . . 71.34 110.302 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.03 -49.32 65.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.91 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.43 -46.21 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 73.52 110.772 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.634 HE21 ' N ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.52 -41.01 89.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.773 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 12.6 t80 -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.971 -0.559 . . . . 61.53 110.27 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.12 -39.19 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.413 -0.812 . . . . 73.1 110.77 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -75.34 -19.02 59.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 70.54 111.617 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 53' ' ' GLN . 2.8 tt -78.13 -2.75 39.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.907 0.384 . . . . 73.22 111.177 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 65.42 74.43 0.38 Allowed Pre-proline 0 N--CA 1.466 0.375 0 CA-C-N 116.021 -0.536 . . . . 73.44 110.305 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.27 155.41 28.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.518 2.145 . . . . 74.53 112.535 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.04 117.74 55.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.537 -0.542 . . . . 74.3 109.537 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 64.12 27.39 14.08 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.635 0.584 . . . . 71.2 110.528 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.19 36.2 89.65 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.869 -0.681 . . . . 70.11 111.894 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -150.38 145.55 26.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.866 0.365 . . . . 72.03 110.411 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.404 ' C ' ' HG1' ' A' ' 50' ' ' THR . 2.6 pp -114.74 -172.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.976 -0.556 . . . . 75.4 109.837 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.625 HG21 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -151.81 179.41 8.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.901 -0.407 . . . . 63.22 109.901 177.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.625 ' H ' HG21 ' A' ' 50' ' ' THR . . . -57.94 -46.2 92.77 Favored Glycine 0 C--N 1.333 0.383 0 O-C-N 123.296 0.373 . . . . 72.43 113.868 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -60.44 -43.25 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.013 0.406 . . . . 72.01 110.689 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HB3' HD22 ' A' ' 42' ' ' LEU . 14.2 mm100 -64.97 -37.86 89.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 61.45 111.168 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.29 70.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 71.32 110.712 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 48.0 mtp85 -59.71 -49.82 76.25 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.789 -0.641 . . . . 74.53 110.561 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -52.16 -45.96 65.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.791 -1.095 . . . . 71.31 111.52 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -61.91 -48.01 82.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 74.24 110.557 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.598 ' CB ' HD23 ' A' ' 68' ' ' LEU . 12.3 m-30 -61.25 -34.6 75.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.467 . . . . 74.22 110.407 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.78 -36.54 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 75.13 110.31 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.48 -5.02 40.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.201 -0.454 . . . . 65.25 111.42 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m -90.23 -5.4 56.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.067 0.46 . . . . 64.31 110.935 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.05 18.26 44.03 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.913 -0.66 . . . . 73.41 112.752 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.709 HD22 HG13 ' A' ' 67' ' ' VAL . 85.4 mt -107.73 144.9 30.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 122.874 -0.192 . . . . 71.42 110.725 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 72.4 Cg_endo -77.3 163.94 29.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.963 2.442 . . . . 63.53 113.227 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.625 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 83.6 mm-40 -48.41 -52.81 40.24 Favored Pre-proline 0 N--CA 1.472 0.666 0 N-CA-C 113.353 0.871 . . . . 75.23 113.353 -175.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.9 Cg_exo -54.47 -36.67 88.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.182 1.921 . . . . 63.54 112.255 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.709 HG13 HD22 ' A' ' 63' ' ' LEU . 54.1 t -72.71 -39.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.69 . . . . 73.23 110.472 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 24.1 mt -62.04 -54.6 39.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.932 -0.576 . . . . 75.05 110.347 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.31 75.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.128 -0.942 . . . . 61.24 110.928 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -68.11 -31.31 70.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.429 -0.35 . . . . 74.34 111.458 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.33 -47.29 60.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.874 -0.417 . . . . 71.21 109.874 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.465 ' HD1' ' HE1' ' A' ' 83' ' ' MET . 19.3 t90 -58.66 -57.08 14.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.61 -0.723 . . . . 71.42 110.658 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.85 57.75 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.563 0.539 . . . . 73.13 112.037 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.487 HD11 HD21 ' A' ' 94' ' ' LEU . 3.9 mt -86.76 -39.31 16.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.637 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' CE ' ' A' ' 83' ' ' MET . . . -64.6 -52.88 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.895 -0.593 . . . . 61.01 111.487 -173.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -85.68 93.71 8.91 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.895 0.855 . . . . 62.42 108.703 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 ptp -59.49 -30.82 68.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.817 -1.083 . . . . 74.41 112.052 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -82.49 -7.63 59.63 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.723 -0.671 . . . . 63.21 110.492 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 HD21 ' HA ' ' A' ' 79' ' ' ASN . 3.2 t-20 49.47 75.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.22 -0.9 . . . . 70.03 110.175 -172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 34.1 t70 -77.39 -32.61 54.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.917 -1.038 . . . . 70.42 109.835 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.09 -5.24 85.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.807 -0.711 . . . . 74.43 112.196 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 43.9 mtm180 -119.7 -46.5 2.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.239 -0.282 . . . . 74.44 110.239 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.733 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 44.6 ttm 70.43 115.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.371 1.044 . . . . 75.54 112.144 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.8 -174.69 3.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.484 -0.78 . . . . 65.31 109.084 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.36 -25.38 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.634 0.235 . . . . 73.42 111.634 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HB ' ' OE1' ' A' ' 87' ' ' GLU . 58.7 t -67.91 -57.04 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.727 0.299 . . . . 61.15 110.323 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.733 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 1.6 mp0 -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 70.11 110.227 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' HZ ' HD13 ' A' ' 42' ' ' LEU . 23.5 t80 -68.86 -28.9 67.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.905 -0.589 . . . . 74.34 110.466 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.1 m -68.99 -46.8 67.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.82 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.57 -29.71 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 72.13 110.633 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . . . -65.46 -35.1 79.9 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.163 -0.472 . . . . 73.33 111.108 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.517 ' HE2' ' HB3' ' A' ' 38' ' ' GLN . 18.0 mmt -70.11 -15.05 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.965 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.683 ' HZ3' ' HG3' ' A' ' 31' ' ' GLU . 64.6 tttp -91.03 -34.12 15.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.454 -0.498 . . . . 73.5 110.162 176.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.487 HD21 HD11 ' A' ' 74' ' ' LEU . 1.1 mp -57.35 -35.79 70.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.357 -0.383 . . . . 72.22 111.645 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 58' ' ' PHE . 37.8 mt -57.42 -39.81 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 37.6 110.88 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -67.12 -43.69 81.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.274 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.56 HD12 HG21 ' A' ' 24' ' ' THR . 3.6 mm? -69.02 -37.2 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 54.53 110.129 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HE2' HG11 ' A' ' 67' ' ' VAL . 16.8 tptt -61.96 -49.28 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.592 -0.731 . . . . 55.33 110.715 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.3 mt -67.64 -25.69 65.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.419 -0.81 . . . . 74.34 112.341 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.94 0.28 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.562 0.578 . . . . 74.31 112.562 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 135.98 -14.87 4.06 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 119.326 -1.416 . . . . 75.35 114.396 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 94.4 m-85 -87.91 159.54 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.485 0.642 . . . . 74.11 110.493 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -137.63 -34.15 0.7 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.013 -0.54 . . . . 64.34 110.809 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.705 HD12 ' HH2' ' A' ' 25' ' ' TRP . 6.5 mp 66.34 156.08 0.13 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-O 121.443 0.639 . . . . 74.13 112.584 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 8.4 Cg_endo -88.42 -163.23 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.478 2.785 . . . . 74.25 110.915 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -77.53 -0.75 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.219 0.533 . . . . 73.12 110.737 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.65 117.37 26.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.813 -0.63 . . . . 74.05 110.803 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 74' ' ' LEU . 2.9 pp -91.4 160.96 35.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 70.31 111.085 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 32.1 Cg_exo -59.93 152.41 64.6 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.709 2.273 . . . . 64.44 113.017 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 17.2 Cg_exo -68.47 -15.26 41.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.977 2.452 . . . . 71.53 112.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.52 -19.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 54.21 110.734 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.657 ' HE3' ' HE3' ' A' ' 25' ' ' TRP . 48.3 mtt -93.96 -47.58 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 72.35 111.361 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 8' ' ' HIS . 12.2 ptmt -67.27 -38.94 85.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 73.3 110.554 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.459 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 82.4 mt-30 64.07 153.99 0.05 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.715 1.006 . . . . 71.02 113.715 170.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.504 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 28.5 tt0 -172.27 100.33 0.36 Allowed Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 114.818 -1.083 . . . . 73.13 110.45 175.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 96.6 Cg_endo -80.94 -158.93 0.1 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.451 2.101 . . . . 71.2 110.696 172.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.86 138.11 20.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 70.34 109.537 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.2 84.87 0.66 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.329 -0.851 . . . . 63.34 109.452 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.6 tt -65.85 112.66 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 74.44 111.097 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -96.97 113.68 25.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.427 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.782 -0.628 . . . . 73.31 110.209 179.529 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.722 0.296 . . . . 61.13 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.02 151.42 10.26 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.381 -0.914 . . . . 71.51 112.067 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -82.53 162.77 21.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.031 -0.359 . . . . 72.35 110.031 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -83.41 -0.63 50.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.663 0.268 . . . . 74.35 111.053 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 74.65 -33.37 0.24 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.574 0.749 . . . . 74.13 112.74 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.19 114.24 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.046 -0.353 . . . . 75.51 110.046 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -155.51 160.28 40.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.02 0.438 . . . . 71.31 111.253 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -139.98 135.38 32.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.546 -0.752 . . . . 75.42 109.448 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.407 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 3.2 p -142.84 100.46 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.234 0.54 . . . . 72.21 112.002 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -135.07 148.36 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.773 -0.649 . . . . 73.42 109.848 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mmt -158.19 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.409 0.443 . . . . 73.34 110.674 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.3 -176.74 0.12 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.89 -0.596 . . . . 72.45 111.805 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 59.1 77.3 0.31 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.767 -0.652 . . . . 63.22 112.127 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.38 94.2 48.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.84 -0.618 . . . . 73.24 110.084 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -91.45 162.24 3.61 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.874 2.382 . . . . 72.41 112.349 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 t -76.3 133.42 71.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.606 -0.516 . . . . 75.11 109.606 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.43 136.43 39.82 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.65 2.233 . . . . 73.11 112.677 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -137.96 152.22 48.72 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.115 -0.948 . . . . 71.53 110.169 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.63 -60.66 4.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.327 -0.463 . . . . 72.43 112.069 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.69 159.59 15.42 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 121.016 -0.611 . . . . 61.13 112.038 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.3 m -85.3 89.72 7.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.832 0.349 . . . . 65.22 110.943 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -83.91 -22.86 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.697 . . . . 74.41 109.439 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -99.91 91.05 4.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.793 -1.094 . . . . 75.21 109.718 175.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 m -71.55 -33.74 69.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 75.01 111.791 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -92.59 10.54 29.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.506 0.67 . . . . 73.52 111.288 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.699 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -119.56 174.56 6.32 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.861 -1.063 . . . . 75.31 109.313 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 mm -103.96 102.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.516 0.674 . . . . 72.43 110.921 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -81.52 159.28 24.2 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.901 -1.045 . . . . 73.43 109.733 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.652 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 26.3 t -58.4 -22.97 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 73.25 110.228 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -75.26 -43.86 49.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 74.43 109.677 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.89 -41.07 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.513 -0.312 . . . . 74.4 111.545 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 11.7 ptm180 -61.37 -37.51 83.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 72.03 110.237 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.12 -38.67 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.607 -0.724 . . . . 71.15 111.17 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -56.31 -41.7 76.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 54.31 110.886 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 93' ' ' LYS . 46.8 m170 -64.1 -34.0 77.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 63.21 111.966 -174.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.5 -42.11 79.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.621 0.248 . . . . 64.32 110.743 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.46 -35.84 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 60.21 110.492 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -73.36 -50.94 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 72.23 110.004 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' HA ' HD23 ' A' ' 42' ' ' LEU . 24.8 t80 -60.09 -33.14 71.68 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.713 -0.676 . . . . 74.42 111.51 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -35.98 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.916 -0.584 . . . . 75.5 110.913 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -76.63 -17.23 59.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 51.12 112.306 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 39' ' ' PHE . 4.4 mm? -68.5 -7.53 33.06 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 64.33 112.208 -176.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mttt 64.04 62.4 1.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.434 -0.803 . . . . 73.03 110.86 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 15.7 Cg_exo -64.16 131.8 31.75 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.881 1.721 . . . . 73.3 111.464 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 tt -68.27 -36.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 64.3 110.792 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -152.77 -60.33 0.15 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.888 -0.782 . . . . 62.45 108.888 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' HA3' ' HB2' ' A' ' 9' ' ' SER . . . -150.9 19.68 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.432 -0.804 . . . . 74.25 111.43 174.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.663 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 35.5 p90 -153.76 167.62 29.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.716 0.293 . . . . 64.41 111.036 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.12 -164.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.445 -0.798 . . . . 64.51 109.268 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 51' ' ' GLY . 2.2 m -140.6 171.09 14.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.056 -0.349 . . . . 74.32 110.056 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.577 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -52.66 -41.78 57.63 Favored Glycine 0 C--N 1.337 0.584 0 O-C-N 123.254 0.346 . . . . 60.1 112.696 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.67 -46.65 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 73.45 110.797 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.62 -40.01 86.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.865 -0.607 . . . . 70.04 110.614 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.45 46.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 54.22 110.959 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 23.6 mtt180 -59.76 -41.77 91.77 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.275 -0.421 . . . . 73.33 110.48 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -54.86 -46.93 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.545 -0.752 . . . . 64.14 110.967 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.94 -44.68 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 73.41 110.969 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.69 ' CB ' HD23 ' A' ' 68' ' ' LEU . 9.8 m-30 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.012 0.434 . . . . 71.53 110.226 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -65.25 -40.94 94.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 73.42 110.501 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.86 -23.6 67.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.75 -0.659 . . . . 72.43 110.841 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB3' HD11 ' A' ' 99' ' ' LEU . 50.4 m -80.5 -7.69 59.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 60.11 111.199 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.36 4.32 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.658 -0.782 . . . . 54.11 112.787 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.655 HD22 HG13 ' A' ' 67' ' ' VAL . 87.2 mt -123.53 143.82 42.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.629 0.252 . . . . 72.44 110.397 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.4 Cg_exo -72.05 160.11 48.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.39 2.727 . . . . 75.11 112.327 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.598 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mp0 -56.22 -46.7 99.76 Favored Pre-proline 0 N--CA 1.469 0.501 0 N-CA-C 113.41 0.893 . . . . 73.45 113.41 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.61 -30.04 73.04 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.928 1.752 . . . . 74.24 112.046 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.655 HG13 HD22 ' A' ' 63' ' ' LEU . 93.9 t -80.19 -33.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.796 -0.638 . . . . 73.42 110.23 178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.69 HD23 ' CB ' ' A' ' 58' ' ' PHE . 15.6 mt -63.29 -52.59 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.504 0.669 . . . . 71.35 109.669 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.03 69.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.004 -0.998 . . . . 72.52 110.895 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -62.21 -40.03 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.145 0.498 . . . . 74.21 109.871 177.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.553 ' HA ' HD23 ' A' ' 94' ' ' LEU . 33.6 mt -70.2 -46.67 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.606 . . . . 64.51 110.305 176.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -66.33 -38.03 86.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 73.21 111.534 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -29.2 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.261 0.553 . . . . 71.54 110.443 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 105' ' ' PRO . 27.2 mt -82.77 -41.81 18.73 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.443 -0.798 . . . . 74.13 110.868 176.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -65.46 -48.31 73.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.591 -0.731 . . . . 62.41 112.289 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 35.6 t0 -75.7 73.79 2.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.54 0.686 . . . . 74.53 109.827 -176.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -67.68 -41.09 84.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 114.955 -1.02 . . . . 71.44 111.9 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -83.99 -10.08 58.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.451 -0.574 . . . . 71.21 109.451 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.624 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.1 t-20 52.7 70.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.628 -1.169 . . . . 70.34 110.715 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 8.6 t70 -96.15 -25.09 15.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.081 -0.963 . . . . 73.52 109.585 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.15 -23.63 23.11 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.896 -0.669 . . . . 64.03 112.039 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -115.17 -39.45 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.523 -0.547 . . . . 72.25 109.523 175.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 82' ' ' ARG . 3.7 ptp 64.09 173.01 0.18 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.748 1.28 . . . . 73.3 111.073 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -134.17 -175.68 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.39 -0.596 . . . . 72.21 109.39 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.663 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 27.6 mm-40 -59.39 -19.88 50.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.78 1.03 . . . . 75.34 113.78 -171.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.48 -56.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.773 -0.454 . . . . 74.12 109.773 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 90' ' ' ILE . 7.1 mp0 -65.17 -36.17 83.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.671 -0.695 . . . . 62.21 111.094 176.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' A' ' 42' ' ' LEU . 37.4 t80 -72.75 -28.07 62.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.425 -0.352 . . . . 74.54 111.551 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -55.6 -38.52 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 74.51 111.067 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 87' ' ' GLU . 18.4 tt -74.6 -22.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.011 0.434 . . . . 75.25 111.064 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.706 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -75.9 -32.48 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 71.02 111.471 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.957 ' HA ' ' HE3' ' A' ' 92' ' ' MET . 10.6 mmt -69.9 -8.66 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.513 0.56 . . . . 72.44 112.513 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' HE2' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -105.15 -15.11 15.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 70.02 110.628 178.287 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' ' 71' ' ' ILE . 11.9 tp -77.43 -31.52 54.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.139 0.495 . . . . 53.34 109.775 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.434 HD12 HD12 ' A' ' 71' ' ' ILE . 17.1 mm -54.15 -49.21 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.042 -0.981 . . . . 72.15 109.956 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -55.23 -50.96 68.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.347 -0.842 . . . . 75.33 111.016 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 32.4 tp -68.63 -44.51 74.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 72.4 111.404 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.606 ' HE3' HG11 ' A' ' 67' ' ' VAL . 28.3 mtpp -71.97 -28.67 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.922 -0.311 . . . . 72.41 111.447 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 61' ' ' SER . 25.6 mt -68.94 -16.16 63.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.598 0.237 . . . . 75.14 110.941 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -91.57 -4.74 55.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 73.13 110.394 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.62 53.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.972 -0.633 . . . . 72.51 113.016 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.489 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 96.5 m-85 -133.76 160.51 37.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.102 0.477 . . . . 70.12 111.025 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -154.39 151.62 29.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.783 -0.644 . . . . 61.34 110.342 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.4 tp -150.09 144.89 18.03 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.422 -0.584 . . . . 74.54 109.422 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.601 ' O ' HD23 ' A' ' 74' ' ' LEU . 52.0 Cg_exo -55.08 166.39 2.24 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.602 2.201 . . . . 73.33 112.507 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 p -73.71 0.68 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.083 0.468 . . . . 63.42 112.042 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.58 21.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.64 -0.709 . . . . 65.33 110.683 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 108' ' ' LEU . 3.4 mm? -75.25 144.14 77.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.651 0.262 . . . . 73.13 110.769 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' HG2' ' HG2' ' A' ' 112' ' ' MET . 35.5 Cg_endo -67.12 153.43 77.62 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.18 1.92 . . . . 71.23 111.316 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.37 -15.63 46.03 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.494 2.129 . . . . 70.03 112.419 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.37 -37.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 63.04 111.007 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.553 ' HE3' HG13 ' A' ' 90' ' ' ILE . 57.5 mmm -60.61 -44.24 96.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.354 0.597 . . . . 53.4 111.29 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -90.16 -17.29 27.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.555 -0.748 . . . . 72.33 110.125 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 62.38 176.82 0.14 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.162 -0.927 . . . . 75.44 110.906 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -124.85 102.91 31.34 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 107.931 -1.136 . . . . 72.31 107.931 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.08 118.23 2.28 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.552 2.835 . . . . 65.14 113.213 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 m -82.67 100.51 6.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.07 -0.968 . . . . 73.32 110.572 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.64 32.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.796 -1.093 . . . . 75.42 109.476 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.7 tt -53.65 111.55 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.78 0.8 . . . . 72.34 111.608 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.2 m -152.88 -171.18 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.999 -1.0 . . . . 72.52 109.295 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.124 -0.941 . . . . 62.23 110.345 178.026 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' SD ' ' HD1' ' A' ' 25' ' ' TRP . 59.0 mtt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.66 0.266 . . . . 44.12 111.157 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.23 56.95 5.0 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.861 -0.685 . . . . 75.53 112.91 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -103.23 97.91 7.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.332 -0.618 . . . . 63.02 109.332 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.44 98.8 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.61 . . . . 72.34 110.808 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -141.86 100.62 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.313 -0.403 . . . . 75.22 110.236 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -80.59 112.14 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 72.03 110.349 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -161.13 120.6 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.292 -0.632 . . . . 73.33 109.292 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.72 149.19 47.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.734 0.302 . . . . 74.53 111.425 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.505 ' OG ' ' HE3' ' A' ' 113' ' ' LYS . 64.2 p -163.95 167.38 20.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.621 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -113.8 144.67 42.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.127 -0.694 . . . . 72.12 109.127 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ptm -70.9 150.38 45.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.479 . . . . 62.34 111.175 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.1 -168.76 1.51 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.912 -0.585 . . . . 72.35 110.305 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.562 ' HG2' HH12 ' A' ' 32' ' ' ARG . 36.4 mt-30 -114.85 134.84 54.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.795 0.331 . . . . 62.0 110.196 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 49.3 m-85 -73.68 167.13 37.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.006 -0.543 . . . . 73.04 110.091 177.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.544 ' HD2' ' HB3' ' A' ' 14' ' ' PHE . 56.2 Cg_endo -70.52 -162.92 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.325 2.016 . . . . 65.34 112.173 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 14.6 t -58.14 135.25 84.38 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.281 -0.418 . . . . 73.31 110.662 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 24.2 Cg_exo -65.29 79.14 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.317 2.678 . . . . 74.42 113.863 -175.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -140.26 122.37 15.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.034 -0.728 . . . . 75.03 109.034 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.68 -157.51 13.15 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.259 -0.972 . . . . 74.42 113.636 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.11 -42.04 0.53 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.091 -1.204 . . . . 53.44 110.091 -173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 m -101.21 148.66 24.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.692 -0.855 . . . . 65.41 108.692 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.29 141.19 38.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.995 0.426 . . . . 62.5 111.523 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -142.93 131.7 22.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.424 -0.954 . . . . 71.31 108.424 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -88.08 -40.15 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.926 -0.579 . . . . 71.5 112.206 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 112' ' ' MET . 37.7 m95 -89.06 -17.11 29.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.369 -0.378 . . . . 75.41 111.618 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.52 125.79 24.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.655 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.714 HD12 HG13 ' A' ' 90' ' ' ILE . 79.1 mt -93.49 108.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.155 0.502 . . . . 73.35 110.821 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' HB ' ' OE1' ' A' ' 31' ' ' GLU . 2.8 m -77.35 168.32 20.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.532 -0.758 . . . . 71.4 110.069 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.16 -27.85 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 72.31 110.355 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.61 -53.4 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.571 . . . . 74.23 110.397 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.567 ' HG2' ' HE3' ' A' ' 93' ' ' LYS . 2.0 mp0 -59.3 -35.73 74.31 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.733 0.301 . . . . 72.23 110.652 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.562 HH12 ' HG2' ' A' ' 13' ' ' GLN . 51.7 ttp180 -62.54 -44.07 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.306 -0.406 . . . . 75.12 110.367 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.6 66.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.113 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 21.0 mmtp -61.1 -25.87 67.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.054 0.761 . . . . 75.2 113.054 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 2.5 p80 -55.8 -36.06 67.01 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.933 -0.395 . . . . 75.4 109.933 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.84 -48.55 76.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.723 -0.671 . . . . 74.11 111.487 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.52 -50.31 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 75.4 110.537 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.1 -32.76 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 64.34 111.086 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 10.5 t80 -70.91 -36.84 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.29 0.567 . . . . 73.21 109.936 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.506 -0.77 . . . . 72.22 110.386 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -72.01 -21.34 61.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.392 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -72.86 -15.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.41 109.916 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 63.18 71.66 0.63 Allowed Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.41 -0.814 . . . . 72.42 110.849 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.17 156.96 63.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.832 2.354 . . . . 75.22 111.875 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 45' ' ' ILE . 3.3 mp -75.69 -63.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.022 0.439 . . . . 71.42 110.117 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -120.72 27.33 8.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.482 0.658 . . . . 62.12 110.444 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 2.16 64.29 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.767 -0.73 . . . . 54.44 111.305 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.77 163.25 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.941 0.4 . . . . 74.54 110.131 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.51 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 45.1 pt -135.95 -166.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 74.2 109.316 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -148.8 175.52 11.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.851 -0.426 . . . . 73.05 109.851 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.22 95.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.506 -0.378 . . . . 75.0 113.707 -172.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 37.1 t70 -62.98 -35.17 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.41 . . . . 72.11 111.271 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.4 -34.0 58.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.968 0.413 . . . . 72.24 110.515 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.83 77.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 62.31 111.722 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 17.0 ptt180 -60.73 -33.17 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.736 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.6 -40.79 93.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.882 0.372 . . . . 75.33 110.999 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.555 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . 61.8 t80 -64.41 -49.26 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.931 0.396 . . . . 72.41 110.845 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HE2' ' HE3' ' A' ' 83' ' ' MET . 13.5 m-85 -66.24 -33.86 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 74.45 110.672 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' HD1' HD13 ' A' ' 68' ' ' LEU . 57.3 t80 -65.6 -31.3 72.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.587 . . . . 74.12 109.8 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -11.93 60.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.584 -0.734 . . . . 55.2 110.193 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 m -84.75 -7.18 59.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 74.22 110.9 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.49 7.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 54.02 112.516 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 60.7 mt -117.25 144.52 34.0 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.599 0.238 . . . . 74.2 110.548 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 15.9 Cg_exo -68.27 152.67 75.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.017 2.478 . . . . 75.04 112.38 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.53 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.9 mp0 -54.44 -48.8 93.82 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.879 0.696 . . . . 75.1 112.879 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.1 Cg_exo -56.28 -30.19 79.47 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.86 1.706 . . . . 72.32 112.378 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 71' ' ' ILE . 57.7 t -81.05 -39.25 17.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 75.14 110.279 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 80.8 mt -55.25 -49.37 72.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 75.44 110.562 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.78 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.045 -0.98 . . . . 63.24 111.118 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -73.24 -41.0 64.21 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.419 -0.355 . . . . 75.34 110.738 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.71 HG22 HD13 ' A' ' 95' ' ' ILE . 2.3 mt -65.66 -46.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 64.4 110.718 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.635 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 23.4 t90 -62.8 -43.97 97.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.058 -0.519 . . . . 74.44 110.731 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.8 -12.55 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.435 . . . . 73.45 111.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.992 HD21 ' HG ' ' A' ' 108' ' ' LEU . 14.8 mt -95.55 -33.73 12.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.904 -0.589 . . . . 55.55 111.723 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.544 ' HB2' ' HE2' ' A' ' 83' ' ' MET . . . -64.73 -70.65 0.22 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.381 -0.372 . . . . 71.44 110.663 -175.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.732 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 9.5 p-10 -84.94 91.08 7.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.797 0.808 . . . . 75.23 109.153 174.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.7 mtm -55.06 -28.7 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.46 -1.245 . . . . 73.54 111.918 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.11 -12.5 61.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 75.24 110.625 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER 52.62 66.25 1.28 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.764 -0.653 . . . . 73.13 109.417 -174.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.57 -25.35 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.508 -0.769 . . . . 74.21 109.232 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.635 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 87.29 29.05 23.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.308 -0.86 . . . . 64.53 112.252 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -135.3 -40.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.536 0.198 . . . . 65.31 111.536 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.548 ' HE3' ' HE2' ' A' ' 58' ' ' PHE . 38.4 ttm 58.57 91.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.935 0.772 . . . . 72.1 110.811 -176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.64 -166.25 1.25 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.421 0.629 . . . . 63.44 110.987 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.407 -0.815 . . . . 71.5 112.645 -169.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.49 -36.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.097 -0.641 . . . . 73.31 110.441 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.732 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 3.3 mp0 -68.05 -41.53 81.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.439 . . . . 64.52 110.507 176.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD2' ' HD2' ' A' ' 39' ' ' PHE . 54.0 t80 -65.35 -30.45 71.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.757 0.313 . . . . 62.55 110.526 175.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.6 m -64.48 -43.65 93.48 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.046 0.45 . . . . 73.23 110.868 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.714 HG13 HD12 ' A' ' 27' ' ' ILE . 16.8 tt -71.43 -19.58 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.046 -0.525 . . . . 75.43 110.957 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.47 -14.73 60.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 72.42 111.679 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.781 ' HE1' ' HA ' ' A' ' 92' ' ' MET . 2.4 tpt -57.78 -41.5 82.16 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.014 0.435 . . . . 72.34 110.994 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HE3' ' HG2' ' A' ' 31' ' ' GLU . 28.3 mmtp -80.18 -26.05 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 74.44 111.225 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 71' ' ' ILE . 31.9 tp -73.47 -52.47 13.55 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.442 -0.345 . . . . 74.22 111.435 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.71 HD13 HG22 ' A' ' 71' ' ' ILE . 50.4 mm -56.94 -41.43 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.115 -0.493 . . . . 75.54 111.035 -177.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 52.3 tttp -62.12 -47.67 83.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 74.33 110.549 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 97' ' ' LEU . 4.4 mm? -71.45 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 73.52 111.64 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HG3' HD13 ' A' ' 71' ' ' ILE . 18.5 mmtm -71.63 -36.34 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.395 . . . . 61.43 110.434 175.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.29 -11.46 59.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 71.51 110.682 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 16.0 mm100 -85.67 -11.64 53.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 70.4 111.022 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.71 -8.06 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.652 -0.785 . . . . 62.33 113.386 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -82.8 150.23 26.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.764 0.792 . . . . 75.44 111.173 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.59 167.18 14.27 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.883 -1.053 . . . . 75.2 110.235 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.8 mt -151.97 154.22 32.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.265 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.478 ' O ' HD22 ' A' ' 74' ' ' LEU . 2.8 Cg_exo -76.72 -163.61 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.43 2.753 . . . . 63.43 111.732 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.2 m -83.43 9.59 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 64.23 111.375 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.06 116.64 23.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.956 -0.565 . . . . 74.15 111.047 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.992 ' HG ' HD21 ' A' ' 74' ' ' LEU . 64.5 mt -83.65 146.21 49.34 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.243 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.441 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 18.9 Cg_endo -60.67 153.59 60.86 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.613 2.209 . . . . 71.33 112.086 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.693 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 25.8 Cg_exo -64.42 -9.23 19.42 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.168 2.578 . . . . 53.4 112.917 -178.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.9 t -80.02 -36.43 16.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 62.02 111.054 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.446 ' CG ' ' HB3' ' A' ' 25' ' ' TRP . 80.6 mtp -74.71 -51.41 14.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.202 0.525 . . . . 65.12 110.469 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.693 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -76.7 -14.91 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 72.12 111.079 -177.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 59.27 -167.43 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.339 -0.846 . . . . 74.45 112.834 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -117.87 121.97 31.08 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.805 -1.089 . . . . 72.33 108.942 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.488 ' HD3' ' HB2' ' A' ' 9' ' ' SER . 44.0 Cg_endo -69.12 123.08 9.95 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.222 1.948 . . . . 70.33 111.68 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.39 84.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 122.222 1.011 . . . . 63.21 111.064 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 179.08 137.81 0.1 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.976 -1.466 . . . . 65.32 109.328 -175.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.7 tt -95.17 128.5 46.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.252 0.549 . . . . 73.1 109.809 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.7 m -93.44 158.56 15.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 55.45 111.477 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.25 1.097 0 N-CA-C 109.077 -0.712 . . . . 60.33 109.077 177.42 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' SD ' ' HD2' ' A' ' 44' ' ' PRO . 23.8 ptm . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.967 -0.383 . . . . 65.42 109.967 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.61 55.62 0.22 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.576 -0.821 . . . . 37.34 111.953 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 98.5 m-70 -110.14 110.67 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.576 -0.527 . . . . 63.11 109.576 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 73.5 m-70 71.96 125.29 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.795 0.684 . . . . 74.03 111.428 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -113.49 15.12 19.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.539 0.685 . . . . 71.03 110.033 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -81.71 98.62 8.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.14 -0.936 . . . . 73.24 110.061 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -131.88 101.36 5.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.457 -0.572 . . . . 75.44 109.457 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -129.01 -1.69 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.09 0.471 . . . . 73.41 110.46 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -84.19 83.44 7.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.05 -0.523 . . . . 74.11 110.319 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -77.94 120.01 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.907 -0.588 . . . . 73.33 110.377 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 47.7 ttm -153.44 82.51 1.18 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.237 -0.653 . . . . 64.43 109.237 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 78.09 1.4 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.552 -0.749 . . . . 54.41 109.736 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -134.11 24.01 3.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.082 0.944 . . . . 64.32 108.636 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -104.51 122.78 42.57 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.936 -1.029 . . . . 72.21 110.53 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.6 135.12 14.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.784 2.323 . . . . 45.42 111.485 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.414 ' O ' ' HD1' ' A' ' 18' ' ' PHE . 28.4 m -69.66 122.6 86.33 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 71.14 109.896 177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.92 94.13 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.585 2.19 . . . . 75.15 111.805 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HD1' ' O ' ' A' ' 16' ' ' THR . 2.4 p90 -111.23 138.74 47.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 72.25 110.947 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.45 48.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.095 -0.802 . . . . 41.22 111.095 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 106.83 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 O-C-N 123.856 0.386 . . . . 60.02 113.153 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 p -164.35 148.21 9.5 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 122.674 0.39 . . . . 61.4 109.997 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.4 mt 68.03 154.0 0.1 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.681 0.613 . . . . 72.25 111.577 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.752 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 20.0 m-20 47.07 70.71 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 72.13 112.053 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -74.09 -31.66 62.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.395 -0.82 . . . . 64.24 111.112 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -94.35 1.33 55.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 74.33 111.567 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.752 ' HB2' ' HB3' ' A' ' 23' ' ' ASP . . . -94.02 175.3 6.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.102 -0.499 . . . . 73.52 111.084 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -95.23 118.3 41.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 75.22 109.758 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -109.14 179.27 4.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 75.21 110.459 -177.119 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.509 ' H ' HG23 ' A' ' 28' ' ' THR . 45.1 t -61.15 -29.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.25 -0.648 . . . . 73.2 109.25 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.85 -59.18 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 72.45 110.506 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 93' ' ' LYS . 19.5 mp0 -54.17 -46.16 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.542 . . . . 70.12 110.473 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.35 -38.07 89.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.346 -0.843 . . . . 74.04 111.05 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -43.1 60.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 50.1 111.046 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 46.1 mmtm -67.26 -32.19 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.439 . . . . 73.24 110.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 34.8 t-80 -57.99 -55.35 36.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.092 -0.958 . . . . 74.22 110.758 173.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -55.33 6.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.443 -0.799 . . . . 63.4 112.901 -170.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -63.89 -42.81 97.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.482 0.549 . . . . 75.03 112.482 -172.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -73.95 -38.64 64.18 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.708 -0.397 . . . . 73.1 110.983 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 6.0 t80 -63.17 -41.77 99.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.72 -0.474 . . . . 72.33 109.72 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -60.79 -32.05 71.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.524 -0.762 . . . . 72.32 110.487 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -76.31 -22.32 55.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.634 . . . . 51.24 111.644 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.69 HD12 ' HD1' ' A' ' 57' ' ' PHE . 97.8 mt -79.37 -10.43 59.81 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.7 0.286 . . . . 64.53 110.754 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.773 ' HZ2' ' HB2' ' A' ' 43' ' ' LYS . 8.5 mtmp? 66.33 74.13 0.37 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.562 -0.744 . . . . 75.44 110.379 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 18.6 Cg_endo -60.43 139.91 88.87 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.719 2.279 . . . . 64.03 111.6 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.39 -75.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.782 0.325 . . . . 74.21 110.368 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -113.93 32.68 5.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.311 0.577 . . . . 70.43 110.744 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.85 -9.14 55.05 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.769 -0.729 . . . . 75.34 111.961 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.1 167.68 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.817 0.341 . . . . 74.43 110.294 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 53' ' ' GLN . 30.1 pt -118.23 -172.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.949 -0.76 . . . . 75.04 108.949 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.704 HG21 ' H ' ' A' ' 51' ' ' GLY . 1.2 m -131.19 -174.11 3.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.99 -0.374 . . . . 74.05 109.99 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.704 ' H ' HG21 ' A' ' 50' ' ' THR . . . -53.05 -36.05 50.65 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 114.227 0.451 . . . . 71.13 114.227 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.36 -45.31 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.948 0.374 . . . . 74.03 111.013 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 13.1 mm-40 -74.28 -29.03 61.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.408 -0.36 . . . . 75.33 110.56 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.144 0.497 . . . . 74.0 109.944 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.527 ' HD2' ' HE1' ' A' ' 58' ' ' PHE . 14.1 tpt180 -56.85 -50.47 72.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.839 . . . . 73.33 110.495 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -59.81 -37.74 80.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.631 -0.713 . . . . 71.04 111.099 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.69 ' HD1' HD12 ' A' ' 42' ' ' LEU . 74.7 t80 -55.07 -52.68 62.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 72.55 112.127 -176.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.527 ' HE1' ' HD2' ' A' ' 55' ' ' ARG . 2.9 p90 -86.99 -20.71 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.046 -0.662 . . . . 75.51 111.831 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -66.61 -37.63 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 74.2 110.908 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 57' ' ' PHE . 29.6 pt20 -69.2 -9.2 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.382 -0.372 . . . . 53.35 111.683 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 t -80.35 -18.48 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 71.14 110.82 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.06 24.15 38.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 75.51 112.958 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 95' ' ' ILE . 23.8 mt -91.96 150.39 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.784 0.292 . . . . 75.42 110.313 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.7 Cg_exo -57.84 149.52 68.88 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.913 2.409 . . . . 65.44 112.873 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.572 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.1 mp0 -53.94 -50.64 82.92 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.392 -0.822 . . . . 72.12 112.591 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 41.5 Cg_exo -57.85 -36.9 98.01 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.927 1.751 . . . . 52.05 112.236 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.69 HG11 ' HD3' ' A' ' 98' ' ' LYS . 95.6 t -66.97 -41.55 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 63.24 110.267 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 58' ' ' PHE . 79.9 mt -62.67 -47.68 82.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 74.41 110.484 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.12 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.395 -0.82 . . . . 54.13 111.164 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 1.4 mm100 -67.02 -41.21 87.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 73.33 111.233 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.567 HD13 HG12 ' A' ' 95' ' ' ILE . 52.5 mt -62.05 -44.65 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 62.13 110.813 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.542 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.3 t90 -67.52 -47.62 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 73.41 110.819 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.08 -27.8 69.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.144 0.497 . . . . 74.15 110.966 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -76.69 -32.68 58.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.67 . . . . 74.41 111.111 176.162 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . . . -62.93 -64.89 0.78 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.958 -172.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 4.7 p30 -85.84 99.85 11.66 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.946 0.879 . . . . 74.41 109.783 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 mtm -47.56 -30.07 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.305 -1.316 . . . . 71.54 112.805 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -90.19 -10.41 44.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.661 0.267 . . . . 75.24 110.941 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER 58.87 75.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.815 -1.18 . . . . 65.52 107.815 -166.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.591 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 28.4 t70 -84.22 -38.73 20.18 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.922 -1.036 . . . . 72.14 109.349 -174.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.542 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.54 -4.75 82.44 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.603 -0.726 . . . . 64.02 112.607 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.591 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -108.12 -42.14 4.73 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.009 -0.277 . . . . 73.24 111.064 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.406 ' HE1' ' CD1' ' A' ' 72' ' ' TRP . 54.1 ttm 62.55 94.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.377 -0.828 . . . . 70.4 111.652 -176.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 22.2 t70 -85.07 177.7 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.744 -0.836 . . . . 73.43 108.744 172.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 mm-40 -50.62 -34.81 27.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.398 0.518 . . . . 74.4 112.398 -178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.45 -57.09 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.998 -0.281 . . . . 72.13 110.788 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 1.9 mp0 -61.81 -33.31 73.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.275 0.559 . . . . 73.55 110.306 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.56 -46.01 84.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.429 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.0 m -65.42 -26.66 68.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.791 -0.64 . . . . 55.21 111.623 -175.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 108' ' ' LEU . 12.5 tt -92.68 -6.6 10.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 74.31 111.075 -176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . . . -108.56 -28.94 9.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 53.34 111.422 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 31' ' ' GLU . 26.6 ptt? -56.61 -35.87 68.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 75.31 112.68 -173.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.563 ' HB3' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -97.82 -5.64 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.265 -0.574 . . . . 71.4 111.433 -177.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 71' ' ' ILE . 21.4 tp -64.92 -36.43 84.34 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.848 -0.797 . . . . 74.54 108.848 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.567 HG12 HD13 ' A' ' 71' ' ' ILE . 36.8 mt -54.52 -42.62 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.149 -1.387 . . . . 74.53 110.65 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.03 -44.15 97.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 75.22 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.56 -26.7 64.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 75.32 111.247 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.69 ' HD3' HG11 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -75.37 -34.0 61.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.499 -0.319 . . . . 72.41 110.315 176.322 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.51 -29.3 66.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.163 -0.471 . . . . 64.51 110.623 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.05 -11.35 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 64.22 111.537 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.09 40.55 16.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.832 -0.699 . . . . 62.4 112.765 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -96.42 178.07 5.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.032 -0.358 . . . . 75.51 110.032 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.41 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 26.9 mt-30 -61.67 159.76 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.472 0.653 . . . . 71.33 112.006 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -113.86 86.18 10.69 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 72.01 110.125 175.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 103' ' ' GLN . 4.8 Cg_exo -74.07 177.3 8.38 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.983 2.455 . . . . 50.23 112.936 -174.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 p -122.96 -1.03 8.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.568 0.699 . . . . 73.33 110.493 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -120.98 143.12 49.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.955 -1.02 . . . . 74.34 110.344 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 90' ' ' ILE . 87.9 mt -87.16 147.74 43.29 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.006 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 9.3 Cg_exo -72.17 151.99 55.72 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.531 2.154 . . . . 71.22 111.835 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 7.6 Cg_exo -74.34 -11.79 22.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.947 2.431 . . . . 74.21 112.687 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 t -82.91 -31.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.71 -0.677 . . . . 63.33 111.371 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.566 ' HE1' ' HA ' ' A' ' 90' ' ' ILE . 47.9 mtp -75.06 -29.27 60.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.922 0.391 . . . . 64.12 110.986 -177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -82.06 -16.25 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.442 -0.577 . . . . 75.12 109.442 174.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 66.3 -96.02 0.04 OUTLIER 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.155 -0.93 . . . . 75.32 112.125 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 35.9 tt0 -52.62 134.51 45.12 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.376 -1.284 . . . . 75.15 111.961 -175.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 115' ' ' GLN . 1.1 Cg_endo -80.21 122.02 4.56 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.812 2.342 . . . . 61.21 111.196 174.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.04 132.26 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 71.44 110.629 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -84.44 63.25 7.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 61.54 111.098 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.7 tt -142.69 109.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.535 -0.757 . . . . 70.13 109.961 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -146.54 162.08 39.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.749 -0.66 . . . . 63.13 110.175 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.945 -0.55 . . . . 73.12 111.185 -179.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.0 -0.37 . . . . 74.42 110.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.28 -82.9 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.889 -0.672 . . . . 74.5 111.636 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m170 43.11 75.8 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.563 0.745 . . . . 72.13 112.451 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -132.12 130.02 40.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.285 -0.87 . . . . 62.02 110.011 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -128.34 120.27 26.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.821 -0.627 . . . . 71.42 110.601 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.703 -0.681 . . . . 74.32 110.307 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -83.65 114.51 21.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.455 -0.339 . . . . 74.44 110.099 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -151.78 98.73 2.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.097 0.475 . . . . 75.42 111.38 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 t -90.27 165.01 14.16 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.122 -1.066 . . . . 74.11 108.122 168.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -105.84 111.1 23.63 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.448 -0.501 . . . . 72.35 109.981 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -64.48 105.35 0.93 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 71.22 110.168 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.55 83.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.599 -0.728 . . . . 63.03 111.781 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -100.98 87.7 3.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 72.12 110.417 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -115.32 104.37 53.56 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.771 -0.649 . . . . 71.25 109.564 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -77.12 127.4 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.568 2.179 . . . . 70.02 112.434 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -130.3 104.93 16.24 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.401 -0.818 . . . . 71.33 110.384 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -84.0 -178.24 3.43 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 122.793 2.329 . . . . 74.2 111.384 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -114.08 95.45 5.3 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.966 -0.561 . . . . 71.02 111.491 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.69 -81.5 1.46 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.258 -1.137 . . . . 72.02 110.258 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.64 13.29 68.38 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.375 -0.44 . . . . 54.14 113.719 172.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -107.8 24.81 12.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.046 -0.353 . . . . 75.24 110.046 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt 60.18 97.6 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.316 1.055 . . . . 74.53 108.371 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.689 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 25.2 m-20 -78.76 91.18 4.68 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 113.866 -1.515 . . . . 73.04 111.501 -167.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -110.81 -34.02 6.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.188 -0.915 . . . . 74.32 109.534 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.46 -16.03 53.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.693 -0.685 . . . . 74.25 110.259 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 23' ' ' ASP . . . -79.23 162.72 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 72.32 110.875 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.5 mt -97.46 83.93 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.397 0.618 . . . . 63.01 110.563 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -67.94 163.85 21.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.49 -0.777 . . . . 72.4 109.193 174.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 p -55.37 -35.02 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.139 0.495 . . . . 54.43 110.719 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.78 -38.67 89.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.706 -0.679 . . . . 73.41 110.712 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 15.3 mm-40 -73.64 -30.46 62.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 53.24 110.617 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -47.79 80.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.349 -0.611 . . . . 74.55 109.349 170.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -16.25 47.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.546 -0.752 . . . . 63.01 112.237 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 30.0 mmtm -60.42 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.734 0.302 . . . . 65.53 110.92 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 12.0 p-80 -76.87 -29.13 55.67 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.68 -0.408 . . . . 71.4 111.654 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.46 -44.46 71.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.75 0.31 . . . . 52.13 110.594 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -77.01 -54.85 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.14 111.86 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.89 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.967 0.358 . . . . 63.44 111.967 -174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' HE1' HG23 ' A' ' 49' ' ' ILE . 17.1 t80 -64.01 -37.91 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.213 0.53 . . . . 74.45 110.268 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.87 -35.11 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.767 -0.651 . . . . 64.32 110.051 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 t -75.92 -18.85 59.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.998 -0.546 . . . . 75.43 111.35 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -83.0 4.03 27.65 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.682 0.277 . . . . 73.43 111.025 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 57.63 77.65 0.4 Allowed Pre-proline 0 N--CA 1.463 0.214 0 CA-C-N 116.035 -0.53 . . . . 71.53 111.081 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.401 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 39.5 Cg_endo -71.91 137.67 29.91 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.008 1.805 . . . . 62.34 111.654 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.5 mm -93.79 110.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.025 -0.731 . . . . 73.43 109.025 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 68.65 -74.08 0.08 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.95 0.781 . . . . 72.22 110.609 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.63 31.66 0.17 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.261 -0.736 . . . . 64.1 111.261 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.661 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 38.5 p90 -152.58 173.79 14.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.869 0.366 . . . . 74.21 111.042 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.501 HG23 ' HE1' ' A' ' 39' ' ' PHE . 22.0 pt -136.59 -169.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 74.13 109.711 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.5 t -147.85 167.88 23.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.998 -0.371 . . . . 73.42 109.998 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.92 -35.6 64.17 Favored Glycine 0 C--N 1.333 0.369 0 O-C-N 123.554 0.534 . . . . 60.3 112.521 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.22 -52.91 63.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.752 0.31 . . . . 73.44 111.293 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 55.21 110.543 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -55.5 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.574 . . . . 72.14 110.777 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -63.91 -33.99 76.94 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.517 -0.31 . . . . 74.34 111.017 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 25.7 t-20 -64.47 -49.56 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 64.22 110.566 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HB2' HD23 ' A' ' 42' ' ' LEU . 61.8 t80 -62.55 -48.0 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 72.3 110.91 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.64 ' HB3' HD21 ' A' ' 68' ' ' LEU . 18.4 m-30 -57.48 -47.52 81.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 62.21 110.654 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -65.08 -32.18 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 74.51 110.996 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.429 HE21 ' HB3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -59.9 -27.63 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 75.02 111.662 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.763 ' HB2' HD13 ' A' ' 99' ' ' LEU . 96.5 p -73.35 -24.2 60.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.99 0.424 . . . . 71.44 110.827 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.15 -1.18 20.97 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.942 -0.647 . . . . 74.31 112.416 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 67' ' ' VAL . 95.9 mt -80.78 142.6 52.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.588 0.232 . . . . 75.35 110.392 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.582 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 4.4 Cg_exo -83.22 169.59 12.63 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.485 2.79 . . . . 72.41 112.856 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.2 mp0 -48.86 -50.48 61.27 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 113.343 0.868 . . . . 72.04 113.343 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.568 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 52.4 Cg_exo -57.38 -16.99 25.0 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.396 2.064 . . . . 72.13 113.297 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 63' ' ' LEU . 44.5 t -98.3 -35.55 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 72.43 110.473 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 58' ' ' PHE . 27.2 mt -62.16 -56.49 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.647 . . . . 70.43 110.722 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.26 71.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.538 -0.756 . . . . 73.44 110.491 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' NE2' HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -66.1 -39.49 90.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.896 -0.593 . . . . 74.35 110.882 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.1 mt -70.01 -44.17 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 70.52 110.154 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.508 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 24.2 t90 -62.37 -49.54 75.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 74.51 111.074 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.03 69.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 64.22 111.193 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.631 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -73.85 -47.68 36.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 74.52 111.04 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 91' ' ' ALA . . . -82.59 -30.15 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 64.32 112.467 -172.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.621 ' CG ' ' HA ' ' A' ' 79' ' ' ASN . 41.0 t0 -77.31 85.85 3.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.563 -0.532 . . . . 73.43 109.563 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.824 ' HE3' ' HG3' ' A' ' 87' ' ' GLU . 2.2 mpp? -51.43 -53.16 39.74 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.29 0.848 . . . . 65.34 113.29 -175.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -91.85 -6.76 51.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 75.41 110.575 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.621 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.2 t-20 54.9 71.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 71.11 109.8 -173.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 3.8 t70 -78.38 -26.4 46.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.414 -1.266 . . . . 70.22 110.003 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.508 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 98.72 -23.09 37.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.657 -0.782 . . . . 63.44 111.44 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.468 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -111.56 -29.2 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.253 -0.647 . . . . 74.41 109.253 175.006 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.627 ' HE3' ' HD1' ' A' ' 88' ' ' PHE . 39.8 ttp 69.48 107.98 0.06 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.511 1.132 . . . . 74.12 110.671 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.5 t70 -67.37 160.87 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 70.21 110.416 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.661 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 18.9 mm-40 -60.1 -28.7 68.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.052 -0.522 . . . . 64.24 112.175 -172.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' SER . 61.8 t -70.24 -48.3 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.343 . . . . 61.35 110.272 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.824 ' HG3' ' HE3' ' A' ' 77' ' ' MET . 13.1 mp0 -63.04 -41.18 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 73.43 110.33 175.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.627 ' HD1' ' HE3' ' A' ' 83' ' ' MET . 72.4 t80 -60.83 -28.98 69.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.769 -0.65 . . . . 75.22 111.13 177.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 60.7 m -62.11 -34.2 75.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.24 112.06 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.926 HD13 ' HB3' ' A' ' 112' ' ' MET . 15.2 tt -81.78 -20.72 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 120.996 0.427 . . . . 74.24 111.03 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . . . -78.88 -16.25 57.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 75.43 111.2 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.816 ' HE1' ' HA ' ' A' ' 92' ' ' MET . 2.8 mmt -58.93 -42.0 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 51.45 112.033 -175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -78.47 -31.56 47.96 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.631 -0.428 . . . . 74.34 110.872 -178.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.611 HD22 HD12 ' A' ' 74' ' ' LEU . 2.0 mp -58.84 -44.76 91.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 112.226 0.454 . . . . 71.14 112.226 -173.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' A' ' 58' ' ' PHE . 45.0 mt -57.92 -53.82 40.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 75.14 110.637 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.0 mmtt -71.04 -28.98 64.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 65.14 111.072 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.656 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 14.0 tp -73.67 -36.73 65.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.252 . . . . 71.32 110.442 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 102' ' ' TYR . 8.8 mtpm? -71.68 -33.11 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.869 -0.333 . . . . 73.11 110.363 177.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.763 HD13 ' HB2' ' A' ' 61' ' ' SER . 90.1 mt -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 55.14 110.445 175.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 80.4 mt-30 -78.69 -20.19 50.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.893 -0.594 . . . . 72.43 111.185 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.72 -11.73 6.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.234 -0.984 . . . . 75.13 113.445 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.656 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 95.2 m-85 -80.93 156.8 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.138 0.469 . . . . 75.12 110.477 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -173.36 134.52 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.081 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.5 mt -139.56 161.96 53.9 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 61.22 109.873 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.01 -168.41 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.915 2.41 . . . . 71.45 112.278 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.631 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 29.1 m -73.79 -3.24 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 64.15 111.272 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.9 97.8 8.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.11 -0.496 . . . . 61.3 110.46 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.404 HD22 HD23 ' A' ' 74' ' ' LEU . 1.9 pp -83.4 151.77 63.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 73.14 110.499 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.49 153.76 72.77 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.639 2.226 . . . . 73.2 112.43 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.9 -23.19 76.46 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.539 . . . . 74.21 112.472 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.26 -26.72 36.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.544 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.926 ' HB3' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -71.77 -49.09 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 63.13 111.439 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -21.95 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.755 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.03 -167.1 0.21 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.386 -0.825 . . . . 63.53 109.972 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -141.52 70.72 26.14 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-O 121.191 0.52 . . . . 71.24 109.689 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -90.1 82.45 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.154 2.569 . . . . 64.25 111.447 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.51 141.46 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.619 0.724 . . . . 62.41 111.129 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.23 -43.66 1.93 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.694 -1.139 . . . . 64.14 109.514 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.0 tt -146.4 135.92 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.441 -0.8 . . . . 62.31 109.317 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m -83.11 -47.33 11.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.983 0.421 . . . . 74.33 110.226 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.315 -0.85 . . . . 71.15 110.009 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.255 -0.276 . . . . 73.14 110.255 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.76 -78.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.62 -0.8 . . . . 63.13 111.383 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -126.26 104.84 8.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.56 0.695 . . . . 65.12 110.869 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -117.76 95.99 5.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.007 -0.997 . . . . 73.51 109.505 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.41 ' HA ' ' OG ' ' A' ' 46' ' ' SER . 21.0 p-80 -90.5 126.82 36.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.405 0.621 . . . . 54.23 110.884 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -160.22 26.97 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.244 -0.889 . . . . 75.23 108.628 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -75.84 155.76 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.535 0.683 . . . . 71.33 111.978 -170.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -129.02 96.72 4.41 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.895 -1.048 . . . . 73.35 108.744 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -77.32 81.83 3.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.874 -0.603 . . . . 74.15 110.452 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -130.96 136.24 48.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.203 -0.908 . . . . 75.0 109.066 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.8 mtt -54.11 129.28 34.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.503 0.502 . . . . 71.3 110.576 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.02 73.19 1.49 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.93 -0.577 . . . . 55.31 110.266 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.522 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 94.5 mt-30 -142.15 101.42 3.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.781 -0.645 . . . . 74.1 110.591 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -127.67 95.85 34.12 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 74.54 109.179 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.85 119.33 6.5 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.799 2.333 . . . . 65.32 112.94 -174.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -138.31 85.6 18.1 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.949 -1.023 . . . . 65.31 109.998 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -87.17 173.73 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.785 2.99 . . . . 63.2 111.735 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 59.63 88.23 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.842 0.714 . . . . 73.4 111.039 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.68 -92.7 0.05 OUTLIER Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.938 -0.648 . . . . 65.41 112.739 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.26 179.52 43.18 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.474 -0.87 . . . . 75.21 112.139 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -118.88 17.31 13.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.255 0.55 . . . . 75.32 110.119 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 tp -155.9 141.99 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.652 -0.703 . . . . 75.41 110.198 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t70 65.74 30.37 10.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 122.032 0.92 . . . . 73.11 110.084 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -72.85 -27.17 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.855 -1.066 . . . . 73.1 111.364 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.757 ' HH2' HD11 ' A' ' 104' ' ' LEU . 92.2 m95 -73.76 -17.54 61.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 71.13 110.999 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.56 143.69 42.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.768 -0.651 . . . . 74.31 111.04 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.433 HG12 ' HE3' ' A' ' 93' ' ' LYS . 47.3 mt -110.25 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.306 0.574 . . . . 74.03 109.506 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -87.22 176.53 7.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.421 -0.809 . . . . 65.23 110.371 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.93 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 47.4 t -55.29 -37.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 75.41 111.17 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.4 mp0 -61.12 -47.14 87.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.437 -0.208 . . . . 72.14 110.437 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -68.09 -32.89 73.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.436 -0.347 . . . . 40.45 111.154 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.93 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -72.3 -42.65 65.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.635 -0.426 . . . . 72.51 109.853 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.553 ' N ' ' HG3' ' A' ' 32' ' ' ARG . . . -66.93 -39.3 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.806 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 11.6 tmtt? -57.37 -46.13 83.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 73.05 110.709 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 7.5 p-80 -77.85 -28.35 50.07 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.487 -0.485 . . . . 61.23 110.843 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.05 -45.14 93.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.157 0.503 . . . . 71.04 110.017 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HG3' ' HA ' ' A' ' 13' ' ' GLN . 23.7 tt0 -57.47 -44.4 84.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.531 -0.759 . . . . 61.03 110.521 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.432 HE21 ' HA ' ' A' ' 35' ' ' HIS . 18.5 mt-30 -73.18 -28.07 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.76 . . . . 75.31 111.202 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -34.82 79.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.86 -0.793 . . . . 74.23 108.86 175.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.89 -37.16 86.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 72.4 110.224 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 m -75.19 -16.45 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 74.34 111.89 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD21 ' O ' ' A' ' 42' ' ' LEU . 2.7 tt -69.66 -21.66 63.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.036 -0.727 . . . . 73.53 109.036 174.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mppt? 63.94 75.95 0.36 Allowed Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 115.027 -0.988 . . . . 73.35 110.645 -172.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.33 139.17 53.66 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.477 2.118 . . . . 73.42 111.368 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.57 -54.62 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 71.52 110.605 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.41 ' OG ' ' HA ' ' A' ' 5' ' ' HIS . 1.4 t -156.16 50.32 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.909 -0.587 . . . . 73.12 109.557 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 6.8 68.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 74.42 112.267 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -143.37 165.65 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.449 . . . . 71.33 109.786 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.31 175.45 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 72.03 109.923 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.586 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 11.5 p -133.35 -177.07 4.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 75.34 110.451 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.16 -37.16 93.5 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.146 -0.55 . . . . 73.41 112.523 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.64 -35.66 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.048 0.452 . . . . 72.54 110.27 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.586 ' HB2' ' H ' ' A' ' 50' ' ' THR . 2.8 mp0 -67.46 -40.16 85.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 73.34 110.43 176.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.466 ' O ' ' HD1' ' A' ' 58' ' ' PHE . . . -64.41 -46.29 83.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 71.33 109.765 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.07 -49.82 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 73.2 110.936 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -64.04 -38.53 91.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 74.1 111.108 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.556 ' HZ ' ' HE3' ' A' ' 92' ' ' MET . 70.2 t80 -65.52 -51.46 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.576 -0.283 . . . . 73.12 110.924 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.466 ' HD1' ' O ' ' A' ' 54' ' ' ALA . 29.8 m-85 -60.43 -40.29 90.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.359 -0.382 . . . . 75.21 111.308 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -65.79 -31.17 72.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 74.12 110.721 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.18 5.39 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.762 -0.654 . . . . 71.12 111.619 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -85.89 -46.96 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.911 -0.493 . . . . 72.35 111.104 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.76 -3.61 29.02 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.932 -0.651 . . . . 72.55 111.806 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.86 150.27 58.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.432 -0.21 . . . . 70.15 110.432 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HG2' ' CG2' ' A' ' 67' ' ' VAL . 24.3 Cg_endo -64.13 153.57 75.55 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.332 2.022 . . . . 71.5 111.873 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -58.62 -45.08 99.68 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.825 0.676 . . . . 73.43 112.825 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 81.3 Cg_exo -51.67 -41.07 63.39 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.848 1.699 . . . . 73.1 112.218 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 98' ' ' LYS . 56.0 t -70.15 -40.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 74.35 110.62 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.21 -45.82 92.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.9 -0.591 . . . . 74.2 110.736 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.24 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 65.43 111.168 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -46.38 85.12 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.3 -0.63 . . . . 64.43 109.3 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 95' ' ' ILE . 96.9 mt -65.67 -42.89 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.764 -0.653 . . . . 75.42 110.67 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 20.4 t90 -64.64 -43.99 91.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 72.53 111.226 -178.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 -27.84 68.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 75.03 110.636 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.837 HD21 ' HG ' ' A' ' 108' ' ' LEU . 2.3 mt -76.39 -48.4 19.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.56 -0.746 . . . . 75.02 111.106 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . . . -72.25 -44.25 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 74.12 112.057 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.694 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 19.9 t0 -76.81 77.85 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.485 -0.931 . . . . 74.04 108.485 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -67.86 -45.88 73.33 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.053 -0.976 . . . . 72.1 111.676 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -76.38 -12.57 60.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.607 -0.516 . . . . 62.35 109.607 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.694 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 47.23 71.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.3 -1.318 . . . . 74.21 112.085 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -91.92 -21.9 20.33 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.553 -0.749 . . . . 73.55 109.85 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.81 -6.13 73.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.876 -0.678 . . . . 71.04 112.612 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -18.68 13.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.822 -0.222 . . . . 75.25 111.433 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.433 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 48.0 ttm 61.18 101.14 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.678 0.752 . . . . 64.21 111.975 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 17.5 t70 -73.14 168.09 19.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.706 -0.679 . . . . 63.43 109.614 176.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.26 -24.83 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.714 -0.221 . . . . 74.14 110.75 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.53 -43.98 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.009 0.433 . . . . 71.32 109.97 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 5.0 mm-40 -68.54 -37.74 80.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 73.12 109.941 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -70.31 -28.66 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.546 . . . . 74.35 110.843 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.3 t -59.18 -32.68 70.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 63.32 110.839 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.433 HG13 ' HE3' ' A' ' 112' ' ' MET . 14.8 tt -96.65 -12.86 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 64.23 110.504 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . . . -76.77 -36.66 56.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.992 -0.549 . . . . 65.1 112.101 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.556 ' HE3' ' HZ ' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -66.81 -27.22 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 75.32 110.772 -174.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' HE3' HG12 ' A' ' 27' ' ' ILE . 51.5 mmtt -59.83 -48.8 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 70.41 110.403 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.487 HD12 ' HG ' ' A' ' 104' ' ' LEU . 1.3 mp -69.24 -39.65 78.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 74.13 112.191 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.598 HD13 HD11 ' A' ' 71' ' ' ILE . 38.0 mm -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.112 0.482 . . . . 70.4 110.264 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -71.38 -38.76 71.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.695 -0.684 . . . . 73.5 110.3 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.4 tp -66.59 -41.55 88.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 75.42 111.459 -175.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 67' ' ' VAL . 25.6 mtpp -71.62 -27.33 63.03 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.59 -0.444 . . . . 64.51 111.348 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.76 -34.62 74.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.984 0.421 . . . . 74.3 110.588 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -75.47 -25.96 57.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 75.22 110.535 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.12 45.75 0.67 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.538 -0.839 . . . . 63.34 113.344 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.459 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 47.7 m-85 -110.22 159.09 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.037 0.446 . . . . 74.23 110.718 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.431 ' C ' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -116.08 145.45 43.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 65.04 111.362 -178.028 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.757 HD11 ' HH2' ' A' ' 25' ' ' TRP . 3.0 mm? -132.14 145.19 56.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 74.31 111.101 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.483 ' O ' HD12 ' A' ' 74' ' ' LEU . 86.2 Cg_endo -87.61 -164.41 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.12 2.547 . . . . 61.31 111.674 172.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.6 m -92.89 10.33 31.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.297 0.57 . . . . 75.42 110.918 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.7 114.51 8.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 71.03 110.725 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.837 ' HG ' HD21 ' A' ' 74' ' ' LEU . 71.8 mt -84.95 156.7 60.68 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.514 -0.312 . . . . 74.53 110.806 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.89 153.56 43.44 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.916 2.411 . . . . 74.54 112.686 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.9 -22.04 27.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 53.13 113.076 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.1 -36.47 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 72.14 111.698 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 59.8 mtp -70.79 -26.61 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 73.4 111.399 -173.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.32 -21.21 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.106 -0.497 . . . . 63.42 111.28 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 61.18 -169.34 0.17 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.548 -0.751 . . . . 75.55 109.789 -171.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -84.95 136.81 38.18 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.826 -0.805 . . . . 74.43 108.826 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -69.03 68.37 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.737 2.291 . . . . 71.23 111.492 176.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 m -76.25 104.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.415 -0.811 . . . . 71.3 111.707 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 119' ' ' ILE . . . -138.91 16.81 2.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.788 -1.097 . . . . 71.43 109.716 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 118' ' ' ALA . 36.9 mm 71.88 -54.1 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.885 -1.052 . . . . 74.24 111.511 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 m -74.39 99.66 3.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.355 0.598 . . . . 72.55 110.746 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.433 -0.803 . . . . 63.12 108.929 179.667 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.192 -0.299 . . . . 63.14 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.36 73.42 1.08 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.801 -0.714 . . . . 64.32 111.664 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -135.34 99.11 4.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.677 -0.49 . . . . 74.31 109.677 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -65.58 125.21 24.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.21 0.529 . . . . 74.31 110.807 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -134.41 118.55 17.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.713 -0.676 . . . . 74.22 110.953 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -146.95 141.7 26.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.533 -0.758 . . . . 75.23 109.885 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -113.96 111.4 21.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.111 0.482 . . . . 74.21 110.258 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -85.96 145.71 27.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 75.24 110.536 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 t -152.4 127.68 9.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.99 -0.55 . . . . 72.35 110.337 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -142.09 71.98 1.37 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.822 -0.807 . . . . 73.51 108.822 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.3 ptm -95.9 113.11 24.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.485 -0.78 . . . . 64.22 110.792 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.96 100.54 4.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.727 -0.67 . . . . 71.33 110.064 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -109.61 143.26 39.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.501 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -127.09 90.76 48.48 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.048 -0.723 . . . . 64.41 109.048 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.7 139.1 22.18 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.052 2.502 . . . . 72.44 112.285 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.53 137.56 74.33 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.016 -0.538 . . . . 72.11 110.41 176.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.33 -178.11 0.79 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.724 2.283 . . . . 71.15 111.58 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.74 129.86 51.28 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.924 -0.58 . . . . 74.13 111.409 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.93 56.0 0.73 Allowed Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.917 -0.873 . . . . 74.31 110.917 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.96 80.68 1.77 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 73.14 112.951 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -96.54 85.8 3.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.251 0.548 . . . . 73.12 110.03 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -127.4 -153.54 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.677 -0.692 . . . . 74.54 109.884 -177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.76 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 5.4 p-10 45.24 89.21 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.49 1.116 . . . . 54.14 113.371 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.8 m -104.68 -32.52 8.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.914 -1.039 . . . . 74.41 110.08 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -106.09 14.29 27.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.596 -0.729 . . . . 75.35 110.926 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 23' ' ' ASP . . . -103.2 173.25 6.39 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.841 -1.072 . . . . 73.23 109.905 172.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -86.5 92.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.236 0.541 . . . . 73.34 110.094 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -70.59 162.44 28.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.151 -0.932 . . . . 63.15 109.837 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 t -49.96 -47.21 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 122.389 0.276 . . . . 72.33 111.221 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.08 -51.26 70.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.446 -0.343 . . . . 42.33 111.171 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.67 -42.42 78.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 70.13 110.2 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 1.1 tmt_? -58.74 -41.61 86.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.344 -0.844 . . . . 72.14 110.022 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.02 -31.48 50.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.885 0.374 . . . . 71.05 111.297 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -59.02 -40.65 85.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 71.43 112.537 -175.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -57.56 -32.4 67.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.806 0.336 . . . . 71.53 111.39 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.22 -49.29 67.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 72.14 111.138 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -73.79 -31.35 63.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.911 -0.586 . . . . 71.3 111.168 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.8 mm100 -64.88 -40.64 95.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.529 -0.545 . . . . 72.1 109.529 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.51 ' HE1' HD11 ' A' ' 49' ' ' ILE . 32.7 t80 -67.4 -35.82 80.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 72.04 110.092 177.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.85 -41.96 97.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.713 -0.676 . . . . 73.31 109.919 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -75.27 -17.88 60.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.035 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD13 HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -64.9 -21.02 66.74 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.074 0.464 . . . . 70.3 109.808 178.151 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 66.18 66.78 0.74 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.185 -0.916 . . . . 72.4 110.83 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.46 133.82 27.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.955 1.77 . . . . 72.31 111.237 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.65 -65.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 74.41 110.734 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -101.38 22.88 11.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.205 0.526 . . . . 74.41 110.975 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.33 -2.78 71.55 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.032 -0.827 . . . . 63.23 111.032 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -126.31 169.64 12.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.489 -0.56 . . . . 73.04 109.489 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.666 HG21 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -128.8 -176.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.801 -0.444 . . . . 74.43 109.801 178.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 t -149.46 -177.88 6.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 74.1 109.529 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.26 94.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.44 -0.409 . . . . 71.34 112.696 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.38 -36.34 83.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.705 0.288 . . . . 74.34 111.331 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.91 -46.38 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.558 0.218 . . . . 75.3 110.566 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.74 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.324 0.583 . . . . 53.21 110.242 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.58 -42.5 64.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.907 -1.042 . . . . 74.14 111.483 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -75.77 -48.66 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.296 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 78.4 t80 -58.26 -47.14 84.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.538 -0.301 . . . . 74.52 111.748 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.934 ' HB3' HD21 ' A' ' 68' ' ' LEU . 3.6 m-85 -59.66 -42.31 92.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 74.52 110.444 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -70.92 -34.9 71.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.532 . . . . 73.51 110.347 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -22.45 64.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.759 . . . . 73.33 110.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m -70.23 -18.99 63.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.046 -0.524 . . . . 73.42 111.093 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.19 21.88 9.67 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.559 -0.829 . . . . 41.41 112.859 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 99' ' ' LEU . 87.6 mt -111.57 143.79 29.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 110.413 -0.218 . . . . 75.14 110.413 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 22.4 Cg_exo -66.08 153.55 77.65 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.749 2.3 . . . . 72.01 111.929 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.526 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.0 tt0 -57.03 -46.45 99.87 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.091 0.774 . . . . 74.41 113.091 -175.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 12.4 Cg_endo -57.42 -24.35 60.33 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.053 1.835 . . . . 75.41 112.11 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.775 HG12 ' HE2' ' A' ' 98' ' ' LYS . 77.1 t -80.6 -38.86 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 74.3 109.952 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.934 HD21 ' HB3' ' A' ' 58' ' ' PHE . 53.3 mt -63.24 -50.58 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.264 -0.88 . . . . 73.43 111.086 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.79 65.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 61.5 111.822 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -67.51 -37.52 82.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.342 -0.39 . . . . 64.31 111.072 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.709 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.8 mt -69.49 -47.38 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 74.53 109.903 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.432 ' HD1' ' SD ' ' A' ' 83' ' ' MET . 22.1 t90 -62.04 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.275 -0.875 . . . . 73.54 111.278 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.19 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 62.42 111.308 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 HD23 ' A' ' 108' ' ' LEU . 23.3 mt -84.73 -31.34 24.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 74.15 111.682 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.613 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . . . -63.96 -59.15 4.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.214 -0.903 . . . . 55.4 112.536 -172.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.836 ' HB3' ' HG2' ' A' ' 83' ' ' MET . 39.1 p-10 -78.06 95.44 4.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 122.108 0.956 . . . . 73.35 110.303 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.4 mtm -59.83 -30.26 68.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.895 -1.048 . . . . 54.32 111.011 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -84.89 -11.96 54.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 61.13 110.27 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.0 t-20 47.74 62.71 2.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.161 -0.927 . . . . 64.03 111.374 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.5 -17.53 17.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 73.33 110.53 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.3 4.8 66.05 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.679 -0.772 . . . . 64.42 113.313 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -121.06 -41.61 2.53 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 117.458 0.629 . . . . 71.31 110.733 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.836 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 62.4 mtm 69.73 130.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.226 0.954 . . . . 74.23 111.624 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.55 -178.62 4.19 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.168 -1.049 . . . . 63.4 108.168 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.23 -25.67 67.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.568 0.223 . . . . 62.22 110.616 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.22 -54.05 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 60.45 110.275 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 21.1 mp0 -65.36 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 53.25 110.671 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.58 -31.01 67.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 73.2 110.822 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.3 t -64.15 -26.87 68.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.849 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.403 HD13 HD11 ' A' ' 108' ' ' LEU . 15.5 tt -96.5 -23.66 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.955 0.407 . . . . 71.41 110.264 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.613 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -70.62 -36.8 73.68 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.126 -0.488 . . . . 42.22 111.716 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.072 0.463 . . . . 63.04 110.823 -177.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -67.53 -42.74 82.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 74.44 109.467 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.709 HD23 ' HA ' ' A' ' 71' ' ' ILE . 3.0 tp -69.67 -37.39 76.67 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.845 -0.616 . . . . 74.51 110.72 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 91' ' ' ALA . 56.9 mt -59.51 -46.67 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.865 -0.42 . . . . 72.03 109.865 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.2 -48.53 81.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 74.11 111.289 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.67 -42.26 86.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.296 -0.411 . . . . 71.43 111.771 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.775 ' HE2' HG12 ' A' ' 67' ' ' VAL . 41.3 mtpt -73.39 -26.82 61.15 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.46 -0.496 . . . . 75.21 111.149 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.502 ' HA ' HD21 ' A' ' 63' ' ' LEU . 25.5 mt -61.19 -31.35 71.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.822 0.344 . . . . 74.33 110.562 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.64 -25.12 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.598 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 113.4 53.14 0.47 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 38.49 113.144 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -126.9 157.08 40.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.067 -0.346 . . . . 75.05 110.067 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.52 133.7 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.268 -0.424 . . . . 74.0 110.474 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 mp -131.63 144.7 54.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.503 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.554 ' O ' HD11 ' A' ' 74' ' ' LEU . 87.4 Cg_endo -86.36 -164.76 0.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.14 2.56 . . . . 75.34 111.466 173.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.633 ' HA ' HD22 ' A' ' 74' ' ' LEU . 19.4 m -72.64 -0.46 13.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 75.11 111.634 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.53 82.09 8.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.002 0.429 . . . . 73.13 110.674 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -75.77 139.46 70.22 Favored Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 108.831 -0.803 . . . . 73.34 108.831 177.045 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.571 ' HD2' HD12 ' A' ' 108' ' ' LEU . 34.5 Cg_exo -62.34 152.15 78.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.154 1.902 . . . . 74.41 112.489 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.29 -14.62 14.69 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.48 2.12 . . . . 64.3 112.227 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.89 -40.91 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.382 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 69.8 mmm -61.38 -43.43 98.88 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.044 0.45 . . . . 53.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.493 ' C ' ' H ' ' A' ' 115' ' ' GLN . 9.7 ptmt -89.6 -13.94 36.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 63.44 110.922 -176.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 71.11 -22.64 0.18 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.172 0.989 . . . . 75.33 113.405 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 113' ' ' LYS . 26.6 tt0 -142.2 104.71 5.6 Favored Pre-proline 0 C--N 1.301 -1.523 0 CA-C-N 115.439 -0.8 . . . . 75.54 110.546 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.43 124.88 4.88 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.349 2.033 . . . . 73.51 111.033 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.9 m -72.26 108.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.563 0.697 . . . . 73.05 110.496 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.88 83.74 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.245 -0.889 . . . . 71.24 110.947 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 -43.7 15.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.285 -0.635 . . . . 74.23 109.285 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.1 t -124.45 100.95 6.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 71.52 109.423 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.674 -0.679 . . . . 73.21 110.21 -179.585 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tmm? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.828 -0.434 . . . . 74.12 109.828 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.07 134.66 3.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.526 -0.845 . . . . 73.41 112.275 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -72.79 104.34 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.416 -0.587 . . . . 74.11 109.416 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -73.13 -56.86 4.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.349 -0.387 . . . . 72.02 109.979 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.552 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 5.9 p80 -104.51 127.55 52.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.452 0.644 . . . . 72.13 111.138 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 78' ' ' ASN . 56.0 m80 -109.35 175.05 5.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.14 -0.936 . . . . 73.24 109.195 175.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -130.11 110.05 11.3 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.878 -0.329 . . . . 74.13 110.365 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -103.71 64.48 0.8 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.41 0.624 . . . . 74.42 109.708 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 82.9 7.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.497 -0.774 . . . . 63.22 111.345 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.33 148.8 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.596 -0.729 . . . . 65.3 109.437 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -89.14 124.44 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.538 -0.301 . . . . 73.01 110.97 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.51 81.45 8.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.337 0.589 . . . . 74.44 110.264 176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -109.18 -2.34 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 64.13 110.747 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 96.7 m-85 -77.91 121.5 84.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 74.2 110.642 -177.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 1.3 Cg_endo -78.84 106.08 2.04 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.478 2.119 . . . . 71.55 111.649 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 18.4 p -96.87 122.06 57.71 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.456 -0.793 . . . . 65.31 110.724 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 23.5 Cg_exo -62.47 118.57 5.46 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.834 2.356 . . . . 64.44 111.855 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -69.62 152.05 45.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.506 -0.77 . . . . 73.35 110.769 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.03 -143.28 15.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.821 -0.704 . . . . 61.23 111.866 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.69 -83.17 0.48 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.0 -0.619 . . . . 41.31 112.538 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 m -94.87 38.4 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.924 -0.399 . . . . 72.43 109.924 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.4 tp 73.12 127.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.146 -0.934 . . . . 74.23 110.564 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.81 24.06 1.57 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.403 -0.817 . . . . 72.2 112.489 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -70.7 -32.92 70.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.406 0.622 . . . . 73.42 110.237 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.687 ' CH2' HD21 ' A' ' 104' ' ' LEU . 22.0 m95 -104.56 0.59 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.4 -0.818 . . . . 74.14 111.217 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.37 140.27 30.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.184 -0.916 . . . . 52.53 110.437 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.47 100.24 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 63.32 110.905 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.803 HG22 ' HG2' ' A' ' 31' ' ' GLU . 1.8 t -86.6 177.86 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 73.05 109.941 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.47 -51.86 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 122.28 0.232 . . . . 63.2 111.617 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.08 -41.73 93.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.536 -0.302 . . . . 70.4 110.781 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.803 ' HG2' HG22 ' A' ' 28' ' ' THR . 10.4 mm-40 -62.27 -43.07 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.38 0.609 . . . . 60.43 110.369 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.13 -32.54 73.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.7 -0.682 . . . . 73.03 110.685 -176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.65 -17.95 34.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.487 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HB3' ' SD ' ' A' ' 92' ' ' MET . 46.2 tptt -59.51 -43.24 93.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 75.32 111.946 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.0 p-80 -57.45 -34.66 69.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.431 -0.35 . . . . 75.32 111.864 -174.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.59 -45.46 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.162 0.506 . . . . 62.43 110.585 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -50.18 73.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.246 -0.888 . . . . 64.43 109.872 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.38 -43.22 95.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.32 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -58.27 -37.16 74.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.063 0.459 . . . . 65.11 110.543 -178.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.06 -41.32 95.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.846 -0.616 . . . . 74.24 110.443 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 t -77.48 -18.87 56.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.851 -0.613 . . . . 74.3 111.593 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -0.76 15.96 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.407 0.521 . . . . 74.23 112.407 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 68.86 68.27 0.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.422 -0.808 . . . . 73.12 110.855 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.59 124.08 8.0 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.407 1.405 . . . . 73.5 111.403 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -53.8 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.478 -0.783 . . . . 74.53 109.435 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -146.92 -46.9 0.18 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.272 -1.01 . . . . 74.4 108.272 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.06 37.22 0.33 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.186 -1.166 . . . . 73.14 110.186 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -139.97 156.74 46.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.396 -0.402 . . . . 74.34 110.68 -173.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -136.76 166.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.827 -0.805 . . . . 75.14 108.827 170.628 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -141.13 168.98 18.49 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.121 -0.231 . . . . 64.22 110.873 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.67 -34.57 82.58 Favored Glycine 0 C--N 1.334 0.453 0 O-C-N 123.359 0.412 . . . . 62.04 112.524 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.76 -53.06 61.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.721 0.296 . . . . 64.11 111.511 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -70.65 -31.23 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 73.44 110.331 -178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.54 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 109.969 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.685 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 96.0 mtt180 -60.03 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 72.31 110.971 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.2 -39.46 79.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 63.33 111.167 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.87 -59.21 5.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.731 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.685 ' CE1' ' HA ' ' A' ' 55' ' ' ARG . 1.3 p90 -75.85 -17.35 59.85 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.011 -0.676 . . . . 74.31 111.748 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -40.7 97.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.621 -0.511 . . . . 74.34 109.621 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.99 -8.65 57.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.786 -0.643 . . . . 61.42 111.266 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 58' ' ' PHE . 20.1 m -77.12 -19.99 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.953 0.406 . . . . 75.04 110.439 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.74 23.87 34.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.43 113.311 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HB2' HD22 ' A' ' 68' ' ' LEU . 68.1 mt -95.36 148.34 34.48 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.84 -0.43 . . . . 73.03 109.84 175.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.537 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 39.2 Cg_exo -62.15 153.1 71.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.948 2.432 . . . . 65.51 112.241 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.1 mt-30 -52.23 -51.21 74.17 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 112.868 0.692 . . . . 75.31 112.868 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 11.6 Cg_endo -56.27 -35.01 95.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.132 1.888 . . . . 73.31 112.046 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 HG11 ' HD3' ' A' ' 98' ' ' LYS . 68.4 t -74.27 -39.08 48.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.982 -0.554 . . . . 74.13 110.448 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 83.7 mt -62.01 -51.62 67.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.777 -0.647 . . . . 73.24 110.532 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -32.28 71.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 75.22 110.712 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.717 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.65 -34.78 78.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.459 178.38 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.809 HG13 ' HD2' ' A' ' 98' ' ' LYS . 55.5 mt -66.03 -51.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.725 0.298 . . . . 64.33 110.436 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -66.5 -41.46 88.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.128 -0.487 . . . . 75.03 111.126 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.13 66.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 62.31 111.278 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 104' ' ' LEU . 11.6 mt -91.54 -44.36 9.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 73.24 111.225 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.462 ' HB2' ' HB1' ' A' ' 91' ' ' ALA . . . -67.38 -34.07 76.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 74.03 111.423 -176.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.707 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -75.28 76.78 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.417 -0.957 . . . . 71.22 108.417 174.433 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.75 -44.57 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 74.2 111.794 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 5' ' ' HIS . 1.1 p-10 -81.17 -14.82 57.22 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.935 -0.765 . . . . 75.52 108.935 174.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.707 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.6 t-20 42.95 74.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.281 -1.327 . . . . 55.12 113.433 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -102.44 -10.38 19.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.45 0.643 . . . . 72.43 109.598 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.98 18.79 6.67 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.668 -0.777 . . . . 71.32 112.316 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -176.19 134.42 0.25 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.354 0.597 . . . . 74.22 110.404 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.0 ptp -84.91 128.78 34.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.752 -1.113 . . . . 73.31 111.271 -175.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 38.7 t70 -90.15 -179.35 5.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 74.13 109.124 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.403 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 1.8 mp0 -55.54 -37.21 67.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.882 0.31 . . . . 73.2 111.247 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.73 -37.64 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.63 -0.259 . . . . 64.4 111.222 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 90' ' ' ILE . 6.8 mm-40 -73.74 -41.83 61.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.274 0.559 . . . . 73.44 110.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.1 -28.03 69.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 75.35 110.663 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -60.88 -15.2 27.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.829 -0.623 . . . . 70.44 111.585 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.756 HD13 ' HB3' ' A' ' 112' ' ' MET . 14.9 tt -104.54 -20.95 5.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.922 0.392 . . . . 75.31 111.428 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 75' ' ' ALA . . . -67.72 -22.92 65.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.051 0.453 . . . . 73.03 110.968 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.421 ' SD ' ' HB3' ' A' ' 34' ' ' LYS . 25.6 ptt? -48.18 -41.95 28.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.896 -1.047 . . . . 71.31 112.732 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -13.23 21.4 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.773 -0.371 . . . . 64.13 111.669 -173.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.6 mp -70.78 -46.28 63.19 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.799 -0.36 . . . . 73.3 110.819 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.692 HG12 HD11 ' A' ' 71' ' ' ILE . 53.7 mt -64.45 -42.24 94.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.233 0.54 . . . . 73.22 109.546 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.85 -38.02 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.086 -0.961 . . . . 73.0 110.832 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.81 -38.72 27.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 71.24 111.321 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.809 ' HD2' HG13 ' A' ' 71' ' ' ILE . 36.6 mttp -69.4 -30.05 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.958 -0.297 . . . . 73.4 111.498 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.55 -14.13 61.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 61.44 110.557 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -90.87 -5.61 55.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.288 0.566 . . . . 65.04 110.039 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.84 55.41 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.886 -0.597 . . . . 75.32 112.83 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -137.18 162.44 33.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.206 0.527 . . . . 73.22 111.118 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.438 ' C ' HD12 ' A' ' 104' ' ' LEU . 5.0 pm0 -142.59 165.14 28.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.22 -0.9 . . . . 74.22 109.463 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.691 ' HB2' HD12 ' A' ' 74' ' ' LEU . 6.4 mp -140.62 167.08 18.9 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.67 -0.492 . . . . 74.43 109.67 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.5 -169.74 0.51 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.342 2.028 . . . . 72.4 111.31 168.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.1 m -85.53 -4.85 59.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.176 0.513 . . . . 74.31 111.069 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.71 115.56 20.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 73.25 111.069 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.34 155.18 46.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.143 -0.481 . . . . 62.43 110.305 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.21 152.82 36.24 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.907 2.404 . . . . 72.41 113.328 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.87 -17.4 41.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.142 2.561 . . . . 73.22 112.495 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.44 -26.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.578 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.756 ' HB3' HD13 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -74.34 -25.45 59.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.923 -0.581 . . . . 74.41 111.371 -178.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.31 -6.08 17.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 74.12 110.764 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 63.24 -172.67 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.25 -0.886 . . . . 65.2 111.736 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 36.54 86.99 0.12 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.75 1.22 . . . . 73.21 113.727 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.09 134.89 62.25 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.968 2.445 . . . . 54.24 111.217 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 29.3 m -86.21 142.1 13.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.326 -0.397 . . . . 65.12 111.061 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.84 3.67 53.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.29 0.567 . . . . 63.4 110.513 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.4 102.3 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.756 -0.657 . . . . 63.35 109.885 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -136.19 149.47 48.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 73.11 109.932 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.098 -0.953 . . . . 74.35 109.793 177.078 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.722 0.296 . . . . 74.41 110.391 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.34 77.77 1.35 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.159 -0.543 . . . . 70.13 113.196 -176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.05 97.37 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.88 0.372 . . . . 74.3 110.027 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -86.43 115.52 23.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.1 -0.704 . . . . 71.34 109.1 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.84 -23.81 67.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.65 . . . . 73.44 111.398 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 63.74 76.53 0.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.528 0.68 . . . . 75.34 110.105 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.232 -0.895 . . . . 75.5 111.129 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 64.42 91.9 0.07 Allowed 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.222 -0.658 . . . . 75.3 109.222 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -54.21 103.65 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.498 -0.774 . . . . 54.5 111.344 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -106.6 97.11 6.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.774 -0.648 . . . . 74.33 109.461 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -128.31 148.3 50.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.61 . . . . 70.43 110.355 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.32 -4.5 3.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.288 -0.414 . . . . 72.34 111.221 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -97.13 133.98 41.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.933 0.397 . . . . 72.13 110.93 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -148.3 152.78 39.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.634 . . . . 74.2 109.444 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.03 128.99 27.01 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.475 2.117 . . . . 63.25 112.341 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -85.6 145.21 41.39 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 115.297 -0.865 . . . . 71.14 110.036 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.21 126.32 19.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.711 2.274 . . . . 74.1 112.254 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -121.85 178.56 4.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.417 -0.81 . . . . 75.11 110.377 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 135.23 45.16 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.311 -0.471 . . . . 72.55 113.003 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.05 131.2 6.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.712 -0.555 . . . . 71.24 111.712 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -82.33 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.88 0.371 . . . . 62.31 111.016 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.17 138.74 31.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.101 -0.499 . . . . 53.04 109.791 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -165.07 154.62 12.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.542 0.687 . . . . 71.45 110.775 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -136.65 -36.46 0.7 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.219 -0.9 . . . . 65.41 110.946 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -112.62 -16.3 12.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.614 0.598 . . . . 75.25 112.614 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.23 164.58 21.1 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.47 -0.492 . . . . 44.34 110.495 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.24 96.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 75.34 110.216 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 29' ' ' VAL . 28.0 m -74.75 166.84 22.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.736 -0.665 . . . . 72.12 109.825 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' HG23 ' A' ' 28' ' ' THR . 9.4 p -48.72 -38.02 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 122.665 0.386 . . . . 74.24 111.617 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.07 -55.45 34.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.637 -0.256 . . . . 74.51 111.3 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -34.01 76.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.19 0.519 . . . . 73.33 110.219 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -66.8 -39.91 87.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 74.25 110.277 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 -33.37 47.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.318 -0.401 . . . . 61.13 111.601 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -57.81 -28.09 63.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.335 0.494 . . . . 73.53 112.335 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.59 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -63.0 -26.23 68.76 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.501 -0.48 . . . . 73.41 111.751 -176.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' N ' ' HD2' ' A' ' 35' ' ' HIS . 21.5 t70 -72.49 -49.38 33.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.226 0.536 . . . . 72.31 110.509 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.22 -35.46 78.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.337 -0.847 . . . . 62.31 111.038 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 64.25 110.563 177.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 1.0 OUTLIER -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.431 0.634 . . . . 64.41 110.134 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.86 -37.31 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.128 -0.942 . . . . 75.25 111.109 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -76.22 -18.2 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.974 -176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HG ' ' CE2' ' A' ' 88' ' ' PHE . 4.2 mm? -74.34 -11.17 60.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 75.21 111.522 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 59.96 66.29 2.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.614 -0.721 . . . . 70.21 110.244 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.25 129.2 30.46 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.771 2.314 . . . . 61.13 112.841 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 tt -93.4 119.97 42.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.0 -1.0 . . . . 75.55 109.377 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m 63.77 -81.49 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.747 -0.66 . . . . 72.13 110.027 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.43 21.43 0.73 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.283 -0.484 . . . . 37.36 111.999 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.45 -179.2 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.762 0.315 . . . . 72.22 110.422 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.61 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.95 178.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.832 -0.433 . . . . 71.41 109.832 176.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.5 p -126.66 -178.65 4.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.487 -0.324 . . . . 74.51 110.771 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 82' ' ' ARG . . . -69.06 -41.32 81.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.046 -0.597 . . . . 71.11 112.554 -176.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.57 -41.96 98.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.643 0.259 . . . . 73.1 110.451 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.8 -45.67 92.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 61.0 110.498 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -55.22 36.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.825 -0.625 . . . . 52.02 111.143 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 3.5 tmm_? -63.48 -34.93 78.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.589 -176.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.59 -48.1 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 73.33 110.772 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.67 -44.84 95.98 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.293 -0.412 . . . . 73.41 111.313 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.898 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.1 m-30 -55.29 -45.99 76.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 74.11 110.311 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.62 -31.91 69.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 75.51 110.56 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -29.64 70.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.805 -0.634 . . . . 72.33 109.686 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 m -66.09 -29.27 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.879 -0.6 . . . . 73.54 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 6.67 29.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.486 -0.864 . . . . 37.36 113.364 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.19 144.9 39.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.905 0.353 . . . . 75.11 110.323 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.592 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.4 Cg_endo -62.45 154.33 64.98 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.716 2.277 . . . . 74.25 112.548 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.496 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.7 tt0 -55.79 -49.2 94.26 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.184 0.809 . . . . 62.15 113.184 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.8 Cg_endo -55.25 -34.8 89.51 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.988 1.792 . . . . 64.43 112.116 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.562 HG11 ' HD3' ' A' ' 98' ' ' LYS . 59.8 t -74.33 -36.65 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.74 -0.664 . . . . 73.04 110.501 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.898 HD22 ' HB3' ' A' ' 58' ' ' PHE . 58.7 mt -62.12 -50.31 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 73.43 110.118 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.08 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.928 -1.033 . . . . 62.41 110.575 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -46.72 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 73.3 110.343 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.533 ' HA ' HD21 ' A' ' 94' ' ' LEU . 95.4 mt -64.13 -48.75 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.634 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.46 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.2 t90 -65.91 -40.69 91.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 72.24 111.295 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 75.02 110.987 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.779 HD21 ' HG ' ' A' ' 108' ' ' LEU . 14.1 mt -79.43 -46.78 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 71.22 111.075 175.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 91' ' ' ALA . . . -64.54 -50.04 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.705 -0.68 . . . . 64.33 111.75 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -77.64 81.5 4.08 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.252 -0.647 . . . . 64.21 109.252 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.6 mtm -61.03 -30.15 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.979 -1.01 . . . . 74.25 111.25 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.72 -10.69 44.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.746 -0.464 . . . . 73.4 109.746 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.435 HD21 ' HA ' ' A' ' 79' ' ' ASN . 2.2 t-20 53.07 47.54 24.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.266 -0.879 . . . . 75.2 110.266 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.23 -35.0 66.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 71.5 109.834 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 102.55 3.51 50.0 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.569 -0.742 . . . . 73.45 111.662 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 84.8 mtt180 -138.18 -30.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.577 0.227 . . . . 75.25 111.048 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.407 ' HE2' ' HZ ' ' A' ' 58' ' ' PHE . 75.3 mtm 68.35 150.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.266 0.979 . . . . 65.24 111.316 -173.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.446 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 12.9 t70 -107.83 -167.85 1.3 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.307 -0.997 . . . . 71.34 108.307 175.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.446 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.5 mm-40 -70.52 -27.66 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.035 0.445 . . . . 65.04 110.254 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.64 -55.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 65.2 110.148 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.62 -32.78 74.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 73.41 110.943 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 58.6 t80 -69.41 -39.65 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 74.41 110.501 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 t -60.53 -37.75 82.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 74.52 110.536 -176.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.499 HG13 ' HE1' ' A' ' 112' ' ' MET . 15.1 tt -82.71 -27.45 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.843 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.548 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . . . -63.74 -35.64 81.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.269 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -54.9 -43.3 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 60.42 110.76 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 93' ' ' LYS . 38.1 tptt -65.51 -41.26 93.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 74.44 111.158 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -64.7 -33.73 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.478 -0.328 . . . . 64.32 111.801 -175.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.511 HD11 ' CE1' ' A' ' 58' ' ' PHE . 58.5 mt -65.46 -50.31 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.14 0.495 . . . . 75.43 109.869 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 59.8 mmtt -64.78 -40.05 94.61 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.454 -0.794 . . . . 65.13 110.163 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 15.5 tp -57.0 -50.81 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.072 -0.967 . . . . 74.42 111.024 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.562 ' HD3' HG11 ' A' ' 67' ' ' VAL . 47.3 mttp -68.7 -28.76 67.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.193 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -77.06 -13.85 59.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.329 -0.396 . . . . 63.31 111.068 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 31.4 mm-40 -88.71 -24.87 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.52 110.57 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.79 57.48 0.49 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.656 -0.783 . . . . 51.31 112.602 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.535 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 97.0 m-85 -133.41 167.69 19.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.006 -0.368 . . . . 73.35 110.006 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -131.5 165.53 23.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 73.12 110.195 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.494 HD22 HD23 ' A' ' 108' ' ' LEU . 24.9 tp -168.55 142.12 2.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.435 ' O ' HD11 ' A' ' 74' ' ' LEU . 3.1 Cg_endo -87.91 -163.68 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.46 2.774 . . . . 61.34 112.28 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.3 m -76.01 5.95 5.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.825 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.0 117.98 34.8 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.288 -0.414 . . . . 61.05 111.148 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.779 ' HG ' HD21 ' A' ' 74' ' ' LEU . 81.0 mt -90.84 144.56 30.42 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 63.25 110.259 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.47 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 38.1 Cg_endo -67.84 152.24 77.55 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 121.914 1.742 . . . . 74.43 111.797 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.2 Cg_exo -70.89 -7.04 20.52 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.213 2.609 . . . . 74.25 113.002 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.1 t -82.76 -39.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.429 . . . . 65.4 111.245 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.499 ' HE1' HG13 ' A' ' 90' ' ' ILE . 82.3 mtp -72.75 -35.49 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 53.55 110.723 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.409 ' HB2' ' HZ3' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -89.77 -9.67 48.4 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 64.4 109.755 -179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 65.89 161.29 0.14 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.192 -0.913 . . . . 60.52 111.732 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -95.04 124.42 54.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 70.41 110.001 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.11 114.9 2.14 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.364 2.042 . . . . 73.02 111.334 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.79 140.22 16.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.272 -0.876 . . . . 63.03 111.485 -175.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -165.99 132.56 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.821 -1.081 . . . . 73.42 109.642 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.7 mm -98.17 89.03 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.436 0.636 . . . . 75.1 109.875 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 m -123.97 -31.38 3.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.676 -0.693 . . . . 52.44 110.296 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.736 -0.649 . . . . 74.02 109.644 -178.363 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.851 0.358 . . . . 72.53 110.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -138.29 14.85 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.925 -0.655 . . . . 73.52 112.4 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 67.51 30.9 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.165 0.586 . . . . 73.35 111.011 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -88.71 111.08 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.845 -0.798 . . . . 75.43 108.845 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -101.21 74.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.849 0.357 . . . . 62.04 111.198 -172.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -123.63 18.78 9.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 73.21 111.033 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -81.68 114.67 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.643 -0.503 . . . . 73.02 109.643 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -130.62 93.28 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.979 0.418 . . . . 74.04 110.93 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -151.64 101.09 2.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 54.41 110.009 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -141.42 113.13 7.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 75.31 109.564 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.9 ptp -143.56 136.08 27.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 72.13 111.432 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.15 139.76 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.128 -0.693 . . . . 74.03 109.128 174.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -126.33 124.96 41.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.932 0.396 . . . . 75.21 111.435 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.95 107.45 37.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.964 -0.562 . . . . 70.11 109.531 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.12 140.0 57.88 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.655 2.237 . . . . 64.42 112.788 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.3 p -88.24 129.11 50.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 74.11 110.604 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.69 146.37 43.16 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.236 1.957 . . . . 63.2 112.652 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 61.21 79.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.935 -1.03 . . . . 75.22 111.659 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.19 111.2 2.91 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.662 -0.699 . . . . 74.03 111.7 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -146.3 11.11 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.654 -0.784 . . . . 44.51 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -81.41 160.0 24.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.762 0.315 . . . . 73.4 111.042 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -111.87 172.38 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.689 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.495 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 11.4 p-10 -89.6 36.86 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.821 -0.627 . . . . 62.15 111.079 -176.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -63.73 -64.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 71.04 110.515 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.448 ' O ' ' HG2' ' A' ' 112' ' ' MET . 89.6 m95 -90.68 -23.29 20.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.845 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -65.72 144.62 56.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.04 -0.527 . . . . 64.42 110.444 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.51 102.37 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.369 0.604 . . . . 73.3 109.507 174.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 159.29 25.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.093 -0.958 . . . . 74.44 110.456 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.54 -34.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.185 0.517 . . . . 52.24 110.949 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.32 -47.17 68.26 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.64 -0.709 . . . . 63.15 110.917 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HG3' ' HZ3' ' A' ' 93' ' ' LYS . 9.6 mm-40 -61.8 -37.44 84.38 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.525 0.678 . . . . 71.32 109.858 176.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 4.1 tmt_? -61.42 -34.77 75.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.172 -0.922 . . . . 75.52 110.381 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.69 -23.27 27.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 74.43 111.547 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.28 -35.09 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.875 -0.602 . . . . 74.41 112.012 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p80 -57.38 -34.97 69.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 74.34 111.831 -175.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 13.8 t70 -67.1 -39.4 86.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.444 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.25 -46.02 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 75.24 110.552 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.28 -44.75 71.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 62.45 110.778 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' HZ ' ' HA ' ' A' ' 48' ' ' PHE . 60.1 t80 -62.27 -39.69 93.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.84 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.38 -31.74 71.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 75.43 110.551 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 m -75.6 -19.49 59.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.003 -0.544 . . . . 53.22 111.981 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.81 HD22 ' HD2' ' A' ' 57' ' ' PHE . 65.7 mt -81.86 3.79 24.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.814 0.302 . . . . 75.32 111.814 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 54.82 73.27 0.91 Allowed Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 123.843 0.715 . . . . 71.45 111.236 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -51.11 128.45 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.964 1.776 . . . . 62.4 111.648 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.89 -27.18 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.499 0.666 . . . . 75.12 110.993 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -141.71 -69.04 0.37 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.224 -1.028 . . . . 65.02 108.224 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.07 19.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.391 -1.083 . . . . 71.34 110.391 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.623 ' HA ' ' HZ ' ' A' ' 39' ' ' PHE . 20.1 p90 -163.38 177.19 9.13 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.625 -0.288 . . . . 75.41 110.333 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.55 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 65.1 110.336 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 52' ' ' ASP . 10.3 t -148.21 176.71 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 60.24 109.955 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.44 -31.74 63.45 Favored Glycine 0 C--N 1.332 0.307 0 O-C-N 123.272 0.357 . . . . 75.2 113.134 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 50' ' ' THR . 35.5 t70 -60.97 -41.0 95.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 75.33 110.77 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.39 -42.28 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 71.33 109.981 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.18 85.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.56 -0.745 . . . . 64.13 111.06 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -60.26 -39.56 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.811 -0.631 . . . . 72.21 111.55 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -75.0 -32.99 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.646 -0.252 . . . . 71.24 110.826 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.81 ' HD2' HD22 ' A' ' 42' ' ' LEU . 62.7 t80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.628 -0.508 . . . . 62.31 109.628 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.933 ' HB3' HD21 ' A' ' 68' ' ' LEU . 22.4 m-30 -53.3 -48.71 68.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 74.2 110.724 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.19 -48.09 81.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.809 . . . . 75.31 111.87 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.73 -3.05 19.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 74.3 111.575 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -84.71 -17.93 36.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 73.54 110.585 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.9 38.61 5.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.467 -0.873 . . . . 73.22 113.138 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 68' ' ' LEU . 60.9 mt -130.53 150.3 75.92 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 110.355 -0.239 . . . . 71.21 110.355 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.612 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 14.6 Cg_exo -69.89 149.21 65.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.931 2.421 . . . . 74.03 112.019 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HA ' HD11 ' A' ' 68' ' ' LEU . 40.1 mt-30 -53.44 -44.51 97.72 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 113.491 0.923 . . . . 73.42 113.491 -176.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.43 -34.64 42.28 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.136 1.891 . . . . 72.35 112.754 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.0 t -83.07 -32.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.425 0.631 . . . . 74.31 110.078 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD21 ' HB3' ' A' ' 58' ' ' PHE . 72.0 mt -66.9 -48.11 69.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.348 -0.842 . . . . 74.31 110.935 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.84 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.384 -0.826 . . . . 62.24 111.138 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.437 HE22 HD13 ' A' ' 74' ' ' LEU . 1.1 tm0? -61.37 -42.88 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 70.1 109.582 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 1.005 HD12 HG12 ' A' ' 95' ' ' ILE . 35.7 mt -66.89 -46.17 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.676 -0.693 . . . . 72.52 110.3 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.606 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 21.1 t90 -64.12 -39.76 94.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.442 -0.799 . . . . 72.31 111.314 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.02 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 62.31 110.937 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.782 HD23 ' HG ' ' A' ' 108' ' ' LEU . 13.2 mt -91.07 -31.39 16.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.541 -0.754 . . . . 70.1 112.443 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.18 -69.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.14 0.422 . . . . 71.31 112.14 -168.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 100.69 8.44 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.543 -0.863 . . . . 73.33 108.726 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.6 mtm -51.84 -29.53 19.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.072 -1.422 . . . . 74.22 112.904 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -77.98 -11.13 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.939 0.399 . . . . 61.32 110.242 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.35 53.25 8.97 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.947 -1.131 . . . . 74.13 107.947 -169.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.78 -28.9 30.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.894 -1.503 . . . . 55.13 110.345 -170.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.546 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 87.54 16.22 60.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.716 -0.754 . . . . 54.3 111.716 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -103.38 -44.04 5.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.932 0.345 . . . . 74.25 111.932 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.701 ' HE3' ' HZ ' ' A' ' 58' ' ' PHE . 41.4 ttm 51.69 78.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.303 -0.862 . . . . 71.31 109.541 -163.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.12 175.33 6.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.201 -0.909 . . . . 74.01 109.213 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.84 -32.01 71.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.444 -0.206 . . . . 74.02 110.444 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.55 -46.02 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 72.3 110.141 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.26 -38.21 87.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.506 0.669 . . . . 55.02 109.823 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.12 -29.4 69.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.558 -0.746 . . . . 64.21 110.324 175.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -66.51 -33.06 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 64.21 110.733 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.629 HD13 HD12 ' A' ' 108' ' ' LEU . 18.0 tt -92.6 -23.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.273 0.559 . . . . 71.41 110.619 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.56 -22.74 29.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 72.12 112.039 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 13.3 ptm -56.34 -39.76 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 63.42 111.865 -176.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 13.0 ptpt -91.8 -4.29 55.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.028 -0.669 . . . . 71.24 111.392 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.02 -48.61 67.83 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.174 -0.676 . . . . 72.53 109.174 173.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 1.005 HG12 HD12 ' A' ' 71' ' ' ILE . 22.5 mt -63.87 -38.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.508 0.671 . . . . 73.42 109.663 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 84.1 tttt -55.24 -43.52 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.595 -1.184 . . . . 70.0 110.874 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.15 -18.33 29.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 74.12 112.028 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.858 ' HZ1' ' HA ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -57.58 -49.58 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.092 0.472 . . . . 74.35 109.967 173.35 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.41 HD21 HD21 ' A' ' 63' ' ' LEU . 76.2 mt -71.01 -22.01 62.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.384 -0.826 . . . . 71.03 111.006 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.74 -26.99 29.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 75.1 110.741 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.87 0.75 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.731 -0.747 . . . . 75.2 113.741 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -129.06 148.24 50.99 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.667 -0.864 . . . . 73.14 108.667 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.858 ' HA ' ' HZ1' ' A' ' 98' ' ' LYS . 10.6 pt20 -117.08 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.287 -0.565 . . . . 75.43 112.417 -175.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.585 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 28.7 mt 66.55 148.46 0.11 Allowed Pre-proline 0 N--CA 1.468 0.445 0 C-N-CA 123.211 0.604 . . . . 73.22 111.529 -170.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 3.1 Cg_endo -87.26 -164.7 0.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.256 2.637 . . . . 71.24 111.116 171.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.502 ' HA ' HD21 ' A' ' 74' ' ' LEU . 5.9 p -73.27 -5.19 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.437 0.637 . . . . 64.32 111.267 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.06 100.35 12.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.587 -0.733 . . . . 74.45 111.061 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.782 ' HG ' HD23 ' A' ' 74' ' ' LEU . 24.9 mt -71.18 144.36 89.66 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.624 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 17.2 Cg_exo -68.79 151.94 74.14 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.373 2.049 . . . . 61.41 111.857 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 11.1 Cg_exo -72.11 -19.58 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 123.108 2.539 . . . . 71.25 112.438 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.93 -18.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.77 -0.65 . . . . 64.32 110.702 -174.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 70.2 mtp -92.0 -21.14 20.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 61.13 110.565 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -74.28 -31.34 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.858 -0.61 . . . . 75.32 111.565 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.97 149.36 11.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.703 0.764 . . . . 60.14 112.478 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.645 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 6.1 tp-100 -129.26 -55.49 0.03 OUTLIER Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 114.844 -1.071 . . . . 74.41 110.14 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 115' ' ' GLN . 83.0 Cg_endo -85.63 152.95 10.27 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.916 1.744 . . . . 54.11 111.66 173.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 30.2 m -81.03 140.44 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.845 0.355 . . . . 73.11 110.61 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.86 -74.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 75.04 111.168 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 60.2 mt -98.54 -43.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 74.35 110.11 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -148.77 -58.65 0.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.718 -0.674 . . . . 75.3 109.419 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.249 1.069 0 N-CA-C 108.32 -0.993 . . . . 64.33 108.32 175.051 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.952 0.406 . . . . 73.25 110.048 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.29 -133.14 3.45 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.788 -0.72 . . . . 43.1 112.095 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 m80 63.2 38.03 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.774 0.43 . . . . 74.04 111.499 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -83.26 109.53 17.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 60.1 109.429 172.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -126.81 148.46 49.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.132 -0.485 . . . . 61.41 110.917 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -146.06 112.83 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 75.25 110.411 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.22 113.64 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.213 -0.449 . . . . 71.53 110.975 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -175.76 142.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.51 -0.552 . . . . 74.11 109.51 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 m -135.64 91.15 2.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.17 0.509 . . . . 63.45 110.293 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -107.34 103.45 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 74.44 110.596 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 87.2 mtp -122.4 78.3 1.49 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 74.42 109.333 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.56 99.27 3.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 42.34 110.137 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -137.44 107.63 6.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.928 -0.578 . . . . 74.21 110.496 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -106.89 138.08 19.69 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.743 -0.662 . . . . 73.12 109.72 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.2 141.49 63.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 44.23 112.267 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.2 p -85.24 132.87 43.92 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 64.1 111.12 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 10.2 Cg_endo -90.64 -168.47 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.489 2.793 . . . . 73.12 112.536 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -139.57 -178.39 5.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 71.04 110.195 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.36 98.94 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.021 -0.609 . . . . 62.25 111.659 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.67 -63.28 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.216 -0.992 . . . . 63.32 113.147 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 m -68.46 -1.45 6.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 74.25 112.777 -172.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD21 ' H ' ' A' ' 22' ' ' LEU . 2.2 pt? -128.52 -15.75 4.46 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.228 0.537 . . . . 75.14 110.963 -178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -112.15 21.93 15.32 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.595 -0.73 . . . . 74.12 110.7 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -61.07 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 73.52 111.369 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.47 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 53.8 m95 -100.4 -24.14 14.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.221 0.534 . . . . 70.53 110.68 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.0 116.14 6.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.474 -0.784 . . . . 75.43 111.948 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -92.69 88.76 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.585 0.707 . . . . 71.5 109.19 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -172.96 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.159 -0.928 . . . . 73.34 111.36 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.31 -41.11 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 62.4 110.766 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.14 -32.89 74.38 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.621 0.248 . . . . 74.31 110.77 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -71.5 -36.88 71.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.388 0.613 . . . . 74.33 109.494 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 35' ' ' HIS . 25.2 ttm180 -63.24 -48.66 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.702 -0.681 . . . . 75.24 110.119 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.05 78.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.996 -0.547 . . . . 60.05 110.62 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.09 -48.28 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 62.01 111.837 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' HB3' ' HE2' ' A' ' 92' ' ' MET . 3.7 p80 -64.53 -32.59 74.29 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 119.959 -0.697 . . . . 75.43 109.176 -175.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.49 -50.13 66.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.321 -0.854 . . . . 71.54 111.42 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.35 -42.04 90.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.169 0.509 . . . . 75.42 110.923 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -71.1 -40.06 71.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.853 -0.612 . . . . 71.21 110.562 178.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.808 ' HE1' HG21 ' A' ' 49' ' ' ILE . 12.6 t80 -55.43 -46.04 76.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 75.42 110.042 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -59.81 -43.11 94.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.132 -0.94 . . . . 73.23 111.272 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -75.26 -19.13 59.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.883 -0.598 . . . . 51.33 112.354 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 38' ' ' GLN . 59.3 mt -79.89 1.78 25.87 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.392 0.516 . . . . 73.01 112.392 -174.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 60.37 66.2 1.98 Allowed Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 109.752 -0.462 . . . . 72.43 109.752 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.67 147.17 81.12 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.861 1.708 . . . . 75.3 111.918 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.4 mt -76.67 95.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.167 -0.679 . . . . 71.45 109.167 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m 66.97 -69.89 0.12 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.853 0.721 . . . . 74.51 111.328 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.58 17.1 0.75 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.58 -0.819 . . . . 38.04 112.758 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.9 173.02 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.533 0.206 . . . . 73.11 110.531 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.808 HG21 ' HE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -124.67 -177.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.875 -0.417 . . . . 73.33 109.875 174.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.724 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.4 m -141.93 -173.24 3.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.359 -0.608 . . . . 71.45 109.359 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.724 ' H ' HG22 ' A' ' 50' ' ' THR . . . -54.33 -42.01 73.0 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.562 -0.351 . . . . 72.53 113.479 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.665 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 6.8 m-20 -61.55 -42.39 98.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.042 0.421 . . . . 71.31 111.568 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.639 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 10.5 mm100 -65.97 -37.14 85.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.805 -0.443 . . . . 74.05 109.805 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.11 96.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 74.2 110.314 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.665 ' HD2' ' HA ' ' A' ' 52' ' ' ASP . 98.1 mtt180 -52.51 -50.54 62.59 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.63 -0.714 . . . . 74.31 111.2 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 27.6 t-20 -64.6 -44.89 89.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 74.02 111.315 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HD1' HD22 ' A' ' 42' ' ' LEU . 67.8 t80 -56.99 -49.57 75.35 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.803 0.335 . . . . 72.31 110.996 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 95' ' ' ILE . 12.9 m-30 -65.18 -43.86 90.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.258 -0.428 . . . . 73.44 110.478 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HD1' HD13 ' A' ' 68' ' ' LEU . 63.5 t80 -67.0 -39.49 87.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.221 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -59.79 -22.91 62.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 72.53 111.024 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 m -80.01 -8.44 59.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.419 . . . . 73.43 111.37 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.01 43.16 5.13 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.616 -0.802 . . . . 73.54 112.64 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.499 HD21 HG13 ' A' ' 67' ' ' VAL . 66.9 mt -119.25 143.87 35.12 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 122.867 -0.196 . . . . 75.51 110.513 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.566 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 40.6 Cg_endo -70.77 163.06 40.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.854 2.369 . . . . 74.31 113.123 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 23.5 tt0 -53.1 -55.16 36.61 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 113.404 0.89 . . . . 74.01 113.404 -172.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 65' ' ' GLN . 35.0 Cg_exo -60.9 -31.35 91.48 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 121.988 1.792 . . . . 71.24 112.341 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG11 ' HD3' ' A' ' 98' ' ' LYS . 53.3 t -71.71 -35.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 62.54 110.713 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 46.7 mt -60.25 -48.25 82.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.587 0.708 . . . . 74.01 109.91 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.77 -37.85 77.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 75.11 111.333 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.471 HE21 HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -60.34 -44.88 95.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.401 178.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.767 HD13 ' HG2' ' A' ' 98' ' ' LYS . 38.0 mt -66.34 -46.11 87.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.461 -0.336 . . . . 73.51 110.363 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -62.12 -44.79 95.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.916 -0.584 . . . . 74.42 111.33 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.45 71.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.981 0.419 . . . . 74.13 111.655 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.725 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.9 mp -88.03 -27.85 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 74.53 112.121 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -62.73 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.42 0.526 . . . . 64.44 112.42 -170.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.73 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 p-10 -84.08 94.39 8.32 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.746 0.784 . . . . 64.43 110.023 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.8 ptp -59.27 -30.75 68.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.649 -1.159 . . . . 54.22 111.778 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.538 HD21 ' HB2' ' A' ' 80' ' ' ASP . 11.9 t30 -68.29 -13.03 61.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.734 -0.666 . . . . 74.21 110.29 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 46.74 67.85 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.111 -0.95 . . . . 64.43 111.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.538 ' HB2' HD21 ' A' ' 78' ' ' ASN . 22.2 t70 -105.09 -15.99 14.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.335 -0.848 . . . . 73.35 109.694 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.0 36.09 64.59 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.855 -0.898 . . . . 74.12 110.855 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.473 ' HG3' HG21 ' A' ' 50' ' ' THR . 70.6 ttt180 -146.29 -44.69 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.107 -0.546 . . . . 72.31 109.95 -173.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.553 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 15.1 ptp 56.09 115.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 125.341 1.651 . . . . 74.23 112.499 -177.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.45 175.2 10.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.425 -0.954 . . . . 74.51 108.425 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 15.8 mm-40 -56.09 -23.61 34.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.088 0.773 . . . . 53.43 113.088 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.44 -54.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.612 -0.514 . . . . 74.54 109.612 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.73 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.0 mp0 -66.62 -28.66 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 61.14 110.729 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 93.5 t80 -67.47 -38.94 85.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.988 0.423 . . . . 74.12 110.478 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -66.72 -36.17 81.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.901 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.613 HG13 ' HE3' ' A' ' 112' ' ' MET . 17.0 tt -79.78 -30.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.37 -0.377 . . . . 70.14 110.651 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -72.96 -37.26 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.583 -0.281 . . . . 72.11 111.508 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.566 ' HE2' ' HB3' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -72.19 -24.97 61.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.019 0.437 . . . . 71.31 110.258 -179.407 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -76.6 -37.17 56.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 75.33 110.099 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 ' HG ' ' OH ' ' A' ' 102' ' ' TYR . 1.2 mp -59.42 -34.64 72.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.638 -0.71 . . . . 74.41 111.317 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.74 HD12 HD11 ' A' ' 71' ' ' ILE . 37.0 mm -56.02 -45.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 74.34 111.865 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 96' ' ' LYS . 7.4 tmtm? -61.69 -42.74 99.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.504 -0.317 . . . . 74.22 110.309 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 tp -79.13 -26.86 42.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.211 0.529 . . . . 73.14 110.293 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.767 ' HG2' HD13 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.3 -31.31 67.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.5 178.335 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.81 -19.34 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 72.21 110.546 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -86.18 -17.03 35.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 72.12 110.535 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.68 45.18 6.92 Favored Glycine 0 C--O 1.226 -0.351 0 C-N-CA 121.119 -0.562 . . . . 73.14 113.186 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.419 ' OH ' ' HG ' ' A' ' 94' ' ' LEU . 5.0 p90 -81.64 170.09 16.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.125 0.462 . . . . 73.53 110.42 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -130.03 134.12 47.19 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.74 -0.663 . . . . 71.32 110.474 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.2 tp -159.33 144.23 11.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 75.34 109.617 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.74 178.65 5.51 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.754 2.303 . . . . 44.23 111.758 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.725 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 40.2 m -66.39 -15.3 63.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.96 0.41 . . . . 53.23 111.236 -174.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.82 86.7 7.32 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.193 0.52 . . . . 73.35 110.861 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 150.58 75.75 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.705 -0.679 . . . . 72.53 109.963 174.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.45 152.25 78.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.462 2.108 . . . . 54.45 113.08 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.22 -5.74 17.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.982 2.455 . . . . 75.2 112.192 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.88 -27.22 29.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.319 0.58 . . . . 71.1 110.215 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.613 ' HE3' HG13 ' A' ' 90' ' ' ILE . 44.2 mtp -84.42 -48.87 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 73.24 110.66 -178.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -69.64 -19.28 63.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.399 -0.364 . . . . 73.31 110.196 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 61.27 -164.57 0.24 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.223 -0.898 . . . . 74.45 109.982 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -109.02 99.09 33.73 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 109.179 -0.674 . . . . 70.24 109.179 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.39 144.9 81.68 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.6 2.2 . . . . 74.11 111.961 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.78 126.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.573 . . . . 64.12 111.262 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.29 86.46 5.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.561 . . . . 74.23 109.898 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.54 122.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.562 -0.745 . . . . 74.23 112.087 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 p -106.48 177.07 4.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 54.33 110.147 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.468 -0.777 . . . . 61.34 110.306 178.702 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.808 0.337 . . . . 71.13 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.64 -102.51 0.97 Allowed Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.821 -0.627 . . . . 54.23 113.924 169.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -4.91 15.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.956 0.725 . . . . 73.55 112.956 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.98 133.91 18.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.406 -0.22 . . . . 75.24 110.406 176.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -136.06 150.35 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.187 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.19 178.22 6.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.115 -0.493 . . . . 73.31 110.556 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -118.3 -176.62 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.907 0.336 . . . . 73.32 111.907 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 76.32 -55.12 0.59 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.057 0.943 . . . . 75.14 110.556 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -80.45 87.64 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.687 -0.857 . . . . 75.14 108.687 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -124.85 102.0 7.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.531 -0.759 . . . . 75.43 110.011 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 83.4 mtp -78.05 116.09 18.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.138 -0.483 . . . . 70.15 110.556 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.25 168.16 21.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.0 -0.546 . . . . 71.21 110.546 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -99.41 172.76 7.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.313 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 68.1 m-85 -77.98 138.81 61.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.367 . . . . 75.51 111.056 -175.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 12.6 Cg_exo -70.51 140.49 39.99 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.892 2.395 . . . . 71.42 111.937 176.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.507 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 17.5 p -100.03 169.38 8.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.981 -0.554 . . . . 72.24 110.649 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' HD2' ' HB ' ' A' ' 16' ' ' THR . 72.1 Cg_exo -52.31 111.97 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.125 2.55 . . . . 72.22 113.354 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.14 21.07 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 72.31 110.565 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.37 -131.16 4.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 44.54 112.437 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.73 84.92 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.502 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -90.09 113.57 25.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.995 0.426 . . . . 74.3 110.74 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.5 mt -99.9 -13.36 19.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.118 0.485 . . . . 75.4 111.267 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.2 15.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 74.42 111.413 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m -62.22 -33.55 74.8 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.083 0.401 . . . . 70.51 112.083 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -91.0 8.77 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 65.41 111.541 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.87 -170.01 1.59 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.155 -0.93 . . . . 63.34 109.628 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -128.7 97.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.515 0.674 . . . . 72.41 109.639 171.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -65.46 158.17 27.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.773 -1.103 . . . . 72.13 109.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.96 -30.22 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.972 0.415 . . . . 64.22 110.231 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.81 -46.67 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 71.53 110.18 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 46.6 mt-10 -66.5 -32.97 74.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.049 0.452 . . . . 73.32 110.237 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -66.18 -38.91 89.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.499 . . . . 72.11 110.1 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.01 56.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 73.53 110.771 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 2.5 tmtm? -60.23 -26.75 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.564 -0.744 . . . . 64.04 110.865 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 8.4 p-80 -58.41 -34.43 70.75 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.864 -0.421 . . . . 74.45 109.864 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.64 -48.46 74.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 61.14 110.253 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.04 -45.36 93.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 54.52 111.015 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HG2' ' HB2' ' A' ' 92' ' ' MET . 3.6 tp-100 -67.6 -50.84 56.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 75.31 110.523 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.783 ' HE1' HG22 ' A' ' 49' ' ' ILE . 3.9 t80 -64.12 -35.43 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 74.44 110.978 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -66.32 -34.41 77.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 72.44 110.201 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 m -75.91 -17.5 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 72.42 111.828 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.609 HD21 ' O ' ' A' ' 42' ' ' LEU . 5.8 tt -73.44 -19.65 60.91 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.74 -0.467 . . . . 74.4 109.74 177.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 75.48 0.36 Allowed Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.316 -0.856 . . . . 75.1 110.306 -171.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 10.2 Cg_endo -58.0 136.7 76.75 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.497 2.131 . . . . 74.24 111.591 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.1 tt -66.36 -35.28 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.691 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.632 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -156.55 44.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.749 0.785 . . . . 72.41 109.112 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.86 -1.68 87.93 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.472 -0.785 . . . . 52.32 112.439 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.632 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.4 p90 -143.99 170.1 16.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.656 -0.498 . . . . 73.22 109.656 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.783 HG22 ' HE1' ' A' ' 39' ' ' PHE . 2.3 pt -123.51 179.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 74.44 110.201 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -158.58 -174.63 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.853 -0.795 . . . . 61.34 108.853 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.429 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -54.07 -37.68 59.17 Favored Glycine 0 C--N 1.333 0.407 0 O-C-N 123.296 0.373 . . . . 75.34 112.815 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.74 -53.53 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 111.435 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -72.01 -29.74 64.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 71.54 110.901 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.47 94.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 71.13 110.14 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 39.6 mmt180 -58.05 -49.81 75.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 53.41 111.025 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.1 -48.48 79.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.955 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.26 -52.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.516 -0.311 . . . . 70.14 110.824 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 68' ' ' LEU . 3.9 m-85 -59.19 -47.05 86.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.074 -0.512 . . . . 62.55 111.578 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.6 -38.64 87.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.047 0.451 . . . . 75.14 110.626 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -72.33 -12.01 60.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.046 -0.525 . . . . 65.35 110.76 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -20.98 61.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.31 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.54 8.46 64.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 52.4 112.807 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.612 ' HB2' HD21 ' A' ' 68' ' ' LEU . 92.7 mt -90.84 144.29 30.03 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.58 -0.155 . . . . 71.25 110.58 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.94 158.18 39.82 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.952 2.434 . . . . 70.3 112.513 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 47.4 mt-30 -55.77 -52.81 69.18 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.808 0.67 . . . . 72.24 112.808 -175.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.04 -38.22 92.68 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 121.837 1.692 . . . . 75.12 111.923 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.593 HG12 ' HD2' ' A' ' 98' ' ' LYS . 72.8 t -62.38 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.814 . . . . 63.02 110.766 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' ' 63' ' ' LEU . 96.4 mt -69.7 -48.22 60.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.803 -0.635 . . . . 65.43 110.901 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.7 70.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.509 -0.769 . . . . 75.31 111.101 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.79 -41.24 95.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 71.31 110.314 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.517 HD13 HD11 ' A' ' 95' ' ' ILE . 67.4 mt -74.92 -40.46 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.808 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.537 ' CD1' ' HE1' ' A' ' 83' ' ' MET . 18.3 t90 -65.11 -40.31 94.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.473 -0.33 . . . . 74.03 110.504 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.9 -17.82 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 64.22 110.734 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' A' ' 108' ' ' LEU . 12.6 mt -92.52 -37.69 12.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.338 -0.846 . . . . 75.23 112.354 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.86 -63.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.017 0.377 . . . . 63.32 112.017 -169.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.658 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 14.9 p-10 -83.66 93.91 8.0 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.991 0.9 . . . . 74.31 108.872 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -61.14 -29.77 69.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.166 -1.379 . . . . 71.04 111.924 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -82.19 -7.57 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.049 0.452 . . . . 72.24 110.058 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.479 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.7 t-20 49.67 72.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.855 -1.066 . . . . 72.52 110.684 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.45 -19.79 21.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.883 -1.053 . . . . 61.34 109.578 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.454 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 73.55 39.02 50.84 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.712 -0.677 . . . . 75.22 112.013 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.449 ' HE ' ' HB2' ' A' ' 84' ' ' ASP . 14.7 ptm180 -121.04 -51.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.894 0.378 . . . . 75.14 111.514 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.537 ' HE1' ' CD1' ' A' ' 72' ' ' TRP . 48.0 ttm 55.11 81.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.959 -1.019 . . . . 64.34 110.258 -170.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 4.9 t70 -83.77 -173.17 4.56 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.422 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -18.89 64.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.043 0.449 . . . . 72.33 110.404 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.02 -55.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.814 -0.63 . . . . 74.11 110.07 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.658 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 3.4 mp0 -64.04 -42.69 96.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.408 -0.36 . . . . 75.11 110.736 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.83 -32.17 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 71.44 111.122 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.42 -30.29 71.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.713 0.292 . . . . 61.3 111.223 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.427 HD11 HD21 ' A' ' 108' ' ' LEU . 19.7 tt -98.79 -27.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.427 . . . . 75.44 110.835 -178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.74 35.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 73.51 111.979 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 35' ' ' HIS . 22.3 ptt? -57.07 -38.4 73.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.616 -0.265 . . . . 74.13 111.551 -176.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.469 ' HD3' ' HE3' ' A' ' 112' ' ' MET . 20.0 ptmt -85.26 -15.8 42.29 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.623 -0.431 . . . . 72.43 110.9 -178.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -41.38 71.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.677 -0.49 . . . . 71.33 109.677 174.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 71' ' ' ILE . 31.8 mm -61.12 -40.91 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.367 -0.605 . . . . 72.01 109.367 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 14.6 tmtt? -60.39 -48.12 83.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.018 -0.992 . . . . 74.34 110.955 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.69 -24.97 53.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.962 0.41 . . . . 74.32 111.059 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.593 ' HD2' HG12 ' A' ' 67' ' ' VAL . 16.1 tppt? -70.89 -36.95 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.79 0.329 . . . . 75.24 110.227 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.11 -21.52 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 61.34 110.576 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 68.5 mm-40 -91.49 -12.25 35.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.532 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.11 17.41 20.5 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.794 -0.717 . . . . 64.3 113.645 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -86.51 159.09 19.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.342 0.591 . . . . 75.34 111.028 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -136.21 145.79 46.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.657 -0.701 . . . . 54.22 110.871 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.3 pt? -151.55 144.65 17.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.445 -0.946 . . . . 75.21 108.445 172.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.452 ' O ' HD13 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -77.36 -168.53 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.02 2.48 . . . . 74.23 112.855 -175.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 p -75.33 -1.24 22.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.401 0.619 . . . . 62.13 111.074 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.7 94.16 7.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 70.33 109.979 174.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 74' ' ' LEU . 13.6 tp -63.07 141.53 97.72 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.131 -0.692 . . . . 62.25 109.131 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 28.0 Cg_exo -63.85 150.9 87.37 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.055 1.837 . . . . 71.35 112.659 -174.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 3.1 Cg_exo -77.31 -25.28 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 123.093 2.529 . . . . 73.32 111.904 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.85 -22.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.929 -0.578 . . . . 72.11 110.767 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.469 ' HE3' ' HD3' ' A' ' 93' ' ' LYS . 80.4 mtp -83.73 -36.93 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.007 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.31 -21.8 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.915 -0.314 . . . . 72.12 110.502 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 57.19 -155.66 0.32 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.752 -0.658 . . . . 65.15 109.708 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -110.02 102.66 51.51 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.246 -0.65 . . . . 64.51 109.246 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.1 159.28 54.53 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.661 2.241 . . . . 61.02 112.251 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 9.2 m -88.05 100.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.768 0.794 . . . . 74.43 110.264 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.91 94.92 4.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.504 -0.771 . . . . 74.33 110.912 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 119' ' ' ILE . 4.1 mp -119.22 76.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.868 . . . . 54.03 108.655 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 t -100.15 -9.32 22.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 74.35 110.204 -175.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.429 -0.796 . . . . 54.34 110.417 177.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.911 0.386 . . . . 74.03 110.383 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.16 119.14 0.56 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.827 -0.701 . . . . 72.12 111.95 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -101.94 105.42 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.408 0.623 . . . . 74.32 109.715 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -70.24 140.54 52.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.918 -1.037 . . . . 72.33 111.627 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -132.59 122.93 25.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 64.44 109.731 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -92.89 119.76 32.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 71.12 110.627 -173.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -88.44 138.4 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 72.23 111.686 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -131.39 142.63 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.879 -0.6 . . . . 65.12 110.394 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 m -161.38 151.01 16.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 75.31 111.021 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -129.25 178.66 6.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.647 -0.706 . . . . 74.43 109.152 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.4 ptp -166.03 119.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.214 0.53 . . . . 70.35 110.159 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.64 90.95 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 64.22 110.635 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.86 114.6 28.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.808 -0.633 . . . . 60.3 110.509 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -113.64 134.4 22.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.068 -0.515 . . . . 70.44 110.235 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 161.93 43.57 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.832 2.355 . . . . 75.3 112.532 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -133.48 128.78 20.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.97 0.414 . . . . 71.31 110.513 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.66 151.15 16.93 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.779 2.319 . . . . 74.52 112.415 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -116.78 164.52 14.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.313 -0.858 . . . . 73.32 109.357 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.29 -155.61 26.95 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.236 -0.983 . . . . 51.55 112.381 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.07 170.13 13.35 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 74.3 111.649 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -136.66 97.81 3.64 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.499 -0.556 . . . . 72.43 109.499 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.5 mt -135.16 172.74 12.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 73.24 110.415 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 49.81 61.24 3.27 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.821 0.7 . . . . 74.34 111.82 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.6 m -97.89 -43.12 7.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.89 -0.595 . . . . 72.41 109.979 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.678 ' HH2' HD11 ' A' ' 104' ' ' LEU . 96.9 m95 -89.18 -19.84 24.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 74.3 111.007 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.03 141.41 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.046 -0.525 . . . . 75.14 110.431 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -87.64 97.56 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.259 0.552 . . . . 73.53 110.081 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.74 169.29 17.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.224 -0.898 . . . . 72.01 110.443 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -53.02 -41.47 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.511 0.196 . . . . 73.23 110.608 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.66 -49.07 77.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.772 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.871 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 7.7 mm-40 -62.33 -32.88 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 61.14 111.004 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -73.7 -49.89 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.98 -0.555 . . . . 75.43 110.284 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.89 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.447 0.536 . . . . 64.43 112.447 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.871 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 16.5 ptmt -62.94 -25.16 68.21 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 111.727 0.269 . . . . 75.32 111.727 -174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' HA ' ' HE3' ' A' ' 92' ' ' MET . 10.6 p-80 -61.5 -32.31 72.34 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 74.31 110.728 -177.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.41 -52.72 62.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.391 -0.822 . . . . 65.1 111.714 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -68.68 -42.09 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 72.3 111.718 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.722 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . 2.3 mp0 -67.22 -38.56 85.47 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.121 -0.231 . . . . 74.5 111.343 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -60.13 -43.0 96.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.283 0.563 . . . . 75.22 109.616 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -55.45 -35.29 65.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.342 -0.844 . . . . 71.44 111.408 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 m -73.75 -17.84 61.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.779 0.659 . . . . 71.32 112.779 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 57' ' ' PHE . 58.0 mt -91.52 3.07 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.261 -0.275 . . . . 75.51 111.556 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 59.26 70.46 1.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.691 -0.686 . . . . 74.41 111.605 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 30.3 Cg_endo -65.58 134.86 39.84 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.024 1.816 . . . . 51.1 111.494 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.432 HD13 ' H ' ' A' ' 45' ' ' ILE . 4.1 mp -74.8 -76.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.163 -0.471 . . . . 74.5 109.983 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.8 m -115.87 28.31 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.312 0.577 . . . . 74.52 109.95 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.57 55.26 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.507 -0.769 . . . . 64.23 111.993 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -128.39 151.79 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 74.12 110.57 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.512 HD11 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -137.79 -178.27 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.543 -0.753 . . . . 72.31 109.174 175.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.492 HG21 ' H ' ' A' ' 52' ' ' ASP . 15.1 t -136.43 -172.29 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.614 -0.513 . . . . 75.13 109.614 176.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.6 -22.95 60.06 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.498 -0.382 . . . . 73.42 113.474 -175.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' H ' HG21 ' A' ' 50' ' ' THR . 34.9 t70 -67.1 -43.66 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.821 0.31 . . . . 73.24 110.924 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.03 -38.44 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 72.05 110.088 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.93 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 65.34 111.878 -177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 13.3 ptp180 -63.22 -36.66 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.675 0.274 . . . . 60.31 110.954 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.98 -30.15 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 75.53 110.3 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.722 ' HE1' ' HB3' ' A' ' 38' ' ' GLN . 66.1 t80 -57.43 -59.44 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.679 -0.691 . . . . 75.42 111.542 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 14.3 p90 -78.28 -26.42 47.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 72.31 111.119 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -64.42 -39.8 94.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.024 0.44 . . . . 75.52 110.177 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.8 -23.64 65.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 62.53 110.758 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.9 t -61.23 -47.38 86.35 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.489 -0.323 . . . . 74.21 110.847 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.85 30.27 5.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.579 -0.819 . . . . 70.11 113.05 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD22 HD21 ' A' ' 99' ' ' LEU . 56.5 mt -97.06 157.93 34.16 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.962 -0.384 . . . . 51.11 109.962 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 31.8 Cg_exo -59.87 151.14 73.44 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.67 2.247 . . . . 40.55 112.324 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.522 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mp0 -51.25 -50.89 73.25 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.109 0.781 . . . . 72.13 113.109 -176.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.5 Cg_exo -56.62 -34.15 94.91 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.064 1.843 . . . . 62.54 112.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 59.0 t -74.8 -37.33 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.229 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 82.4 mt -62.09 -49.9 74.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.546 -0.752 . . . . 73.51 111.06 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.35 76.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.707 -0.679 . . . . 74.21 110.88 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -64.84 -40.98 96.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.893 -0.594 . . . . 73.23 110.307 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.547 ' HA ' HD23 ' A' ' 94' ' ' LEU . 27.7 mt -55.76 -54.36 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.314 -0.403 . . . . 74.51 110.868 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.78 -47.6 82.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.702 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.86 70.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 73.03 111.553 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mt -79.23 -31.49 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.575 . . . . 74.52 111.628 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 -63.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.471 -173.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.548 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 27.7 p-10 -85.35 86.23 7.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.804 0.811 . . . . 73.03 109.543 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.52 -29.26 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.883 -1.053 . . . . 75.54 111.196 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -71.67 -11.38 60.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 73.14 110.683 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.83 72.18 0.49 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.9 0.857 . . . . 75.2 109.212 -171.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 15.8 t70 -87.39 -39.34 15.36 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.548 -1.206 . . . . 71.43 109.828 -170.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.19 -12.32 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 71.41 111.93 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -119.88 -29.24 5.02 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.586 -0.524 . . . . 74.5 109.586 176.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.461 ' HE2' ' HD1' ' A' ' 88' ' ' PHE . 38.5 ttp 67.64 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.522 -1.217 . . . . 74.31 109.805 -175.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.14 -179.1 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.953 -1.021 . . . . 73.01 110.225 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.64 -47.21 73.78 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.976 0.732 . . . . 71.54 112.976 -169.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.88 -44.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 65.31 110.514 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.548 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 6.2 mp0 -66.68 -41.02 88.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.755 -0.657 . . . . 73.5 110.543 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HD1' ' HE2' ' A' ' 83' ' ' MET . 61.6 t80 -66.88 -31.92 72.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.815 -0.629 . . . . 74.24 110.9 178.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -72.1 -30.99 65.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.474 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 87' ' ' GLU . 12.7 tt -81.45 -21.0 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 74.23 111.011 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.0 -16.87 63.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 74.03 111.078 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.569 ' HE3' ' HA ' ' A' ' 35' ' ' HIS . 25.7 mmt -59.31 -31.12 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 70.11 111.601 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.787 ' HG2' HD23 ' A' ' 97' ' ' LEU . 23.6 ttmm -83.31 -37.56 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.431 -0.35 . . . . 72.33 110.691 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -59.79 -42.11 92.68 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 121.205 -0.198 . . . . 73.31 111.186 -177.469 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.491 HG13 ' HE2' ' A' ' 57' ' ' PHE . 34.2 mm -59.92 -41.48 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 73.2 109.945 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 13.1 tmtt? -69.15 -44.8 71.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.222 -0.899 . . . . 64.14 110.662 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.787 HD23 ' HG2' ' A' ' 93' ' ' LYS . 4.4 pp -77.44 -33.21 54.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 73.14 112.007 -176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 103' ' ' GLN . 38.3 mttp -68.71 -35.3 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.963 -0.295 . . . . 74.22 111.098 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.404 HD21 HD22 ' A' ' 63' ' ' LEU . 54.4 mt -65.22 -23.26 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.361 . . . . 73.23 110.667 175.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 27.4 mm-40 -83.05 -19.24 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 75.45 110.605 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.44 63.88 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.575 -0.821 . . . . 41.32 113.107 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -144.34 162.24 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.207 -0.294 . . . . 74.44 110.207 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 63.7 tt0 -129.37 -45.93 1.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.221 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.678 HD11 ' HH2' ' A' ' 25' ' ' TRP . 10.0 mp 72.76 158.58 0.16 Allowed Pre-proline 0 N--CA 1.47 0.553 0 O-C-N 123.764 0.665 . . . . 74.43 112.008 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.0 -163.69 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.999 2.466 . . . . 65.42 111.764 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 p -85.75 8.59 19.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.487 0.661 . . . . 73.11 111.195 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.61 114.32 11.9 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.007 -0.997 . . . . 65.12 110.523 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.93 155.79 75.08 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.503 -0.317 . . . . 75.04 110.927 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.07 153.8 30.77 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.982 2.454 . . . . 74.15 113.185 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.25 -20.25 70.26 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.261 2.641 . . . . 65.13 112.851 -177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.5 -29.47 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 75.22 110.672 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.559 ' HE2' ' HD2' ' A' ' 93' ' ' LYS . 59.8 mtp -79.14 -36.93 39.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.883 -0.327 . . . . 62.0 110.648 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -82.98 -7.28 59.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 75.51 110.121 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.29 178.98 0.21 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.97 -1.013 . . . . 72.32 112.392 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.636 ' HA ' HE21 ' A' ' 115' ' ' GLN . 0.0 OUTLIER -88.52 129.78 47.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.153 -0.931 . . . . 75.43 109.347 176.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.21 115.8 2.62 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 75.13 113.087 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.57 167.99 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.901 -1.045 . . . . 60.35 110.002 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 55.18 31.29 16.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.171 0.51 . . . . 62.43 111.108 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.5 tt -99.94 133.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.804 -0.635 . . . . 64.25 110.952 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -87.25 172.37 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.993 -0.549 . . . . 75.3 110.74 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.849 -0.596 . . . . 73.54 110.35 179.353 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.004 -0.369 . . . . 73.05 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.25 70.02 0.26 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.062 -0.589 . . . . 74.51 112.159 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -92.92 133.95 35.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.999 0.428 . . . . 71.23 111.232 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -126.41 69.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 73.11 110.238 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -85.82 94.3 9.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.554 -0.535 . . . . 74.11 109.554 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -137.25 -60.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 74.3 110.606 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.5 m170 62.61 178.05 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.656 . . . . 71.43 111.576 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 m170 59.7 79.23 0.24 Allowed 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.492 -0.558 . . . . 72.14 109.492 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -121.16 96.37 5.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 70.22 111.932 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -102.22 -66.11 0.95 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.677 -0.86 . . . . 74.55 108.677 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.7 mtt 42.29 89.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.294 0.996 . . . . 62.44 113.62 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.26 84.29 2.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.903 0.382 . . . . 72.35 110.267 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.97 168.81 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 64.2 110.159 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -122.82 91.43 49.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.977 0.418 . . . . 73.12 111.225 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -83.43 158.24 14.66 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.081 2.521 . . . . 73.14 110.329 170.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -156.83 133.84 6.56 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-O 120.846 0.355 . . . . 74.34 110.933 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.71 171.76 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.763 2.309 . . . . 65.31 111.672 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.46 140.57 30.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.933 0.397 . . . . 74.41 110.941 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.83 62.52 0.69 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 71.21 111.988 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.46 71.25 3.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.007 -0.616 . . . . 64.14 112.294 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 15.0 m -123.18 179.84 4.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 74.31 109.947 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 21' ' ' SER . 61.5 tp 73.69 138.89 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.742 0.651 . . . . 75.13 112.08 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.17 33.49 20.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.45 -0.796 . . . . 62.14 112.31 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -69.62 -22.49 63.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 75.42 110.274 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.566 ' HH2' HD21 ' A' ' 104' ' ' LEU . 42.3 m95 -78.87 -2.38 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 74.33 111.201 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.7 164.24 11.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.946 -0.57 . . . . 75.43 110.1 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.7 mt -91.37 90.53 3.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 74.5 110.24 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -70.23 162.33 28.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.517 -0.765 . . . . 71.12 110.324 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.56 -35.83 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 71.14 110.475 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.99 -44.81 95.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 72.41 110.033 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 75.45 110.562 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 54.3 ttt-85 -65.43 -51.47 60.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 73.24 110.356 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.63 90.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 71.14 110.531 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.83 -51.92 66.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.903 -0.589 . . . . 63.44 111.927 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 9.8 p80 -61.99 -31.81 72.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.519 -0.472 . . . . 75.21 110.999 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.97 -44.35 73.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 74.44 110.269 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.3 -40.23 95.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.051 -0.522 . . . . 75.11 110.297 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.8 -46.57 88.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 71.22 109.648 177.662 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 4.8 t80 -60.43 -41.51 94.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.89 -1.05 . . . . 74.34 110.191 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -60.25 -40.28 89.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.435 -0.802 . . . . 75.54 110.583 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 m -75.3 -18.31 60.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.848 -0.615 . . . . 75.12 111.855 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD21 ' HD2' ' A' ' 57' ' ' PHE . 74.1 mt -77.98 -12.6 60.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.67 -0.241 . . . . 74.5 110.782 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 13.0 mptt 66.15 80.99 0.22 Allowed Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 74.32 110.608 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 19.4 Cg_endo -59.34 149.08 83.43 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.946 2.431 . . . . 73.13 111.618 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 48' ' ' PHE . 11.3 tp -81.57 -32.59 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.044 0.449 . . . . 72.5 111.077 -175.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -163.75 45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.631 0.729 . . . . 72.2 109.171 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.04 -16.47 60.84 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.413 -0.812 . . . . 62.21 111.692 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 45' ' ' ILE . 41.6 p90 -135.15 163.44 29.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.706 -0.479 . . . . 73.11 109.706 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.537 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 41.8 pt -99.59 -164.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.727 -0.842 . . . . 73.21 108.727 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 12.2 t -147.96 177.32 9.45 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 120.459 -0.496 . . . . 60.12 110.036 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -55.0 -47.89 70.36 Favored Glycine 0 C--O 1.228 -0.25 0 O-C-N 123.352 0.408 . . . . 43.53 113.801 -173.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.56 -40.47 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.273 0.559 . . . . 74.32 110.517 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.6 -31.53 68.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 53.11 110.555 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.52 -47.33 79.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 72.24 110.113 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 94.9 mtt180 -59.56 -40.75 88.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.607 -0.724 . . . . 74.24 110.373 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -54.03 -50.74 66.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.572 -0.74 . . . . 74.22 111.063 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' HD2' HD21 ' A' ' 42' ' ' LEU . 59.4 t80 -57.39 -48.83 78.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.618 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.597 ' HB3' HD21 ' A' ' 68' ' ' LEU . 17.6 m-30 -61.57 -48.55 80.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 75.44 110.698 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -61.38 -41.05 96.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.981 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -69.37 -9.66 54.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.367 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -84.22 -16.48 43.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.421 -0.354 . . . . 73.22 111.053 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.18 38.21 6.85 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.623 -0.798 . . . . 41.03 113.216 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 71.4 mt -113.88 147.87 38.65 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.713 -0.286 . . . . 75.21 110.433 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 26.4 Cg_exo -63.96 158.9 44.9 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.855 2.37 . . . . 64.23 112.61 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.3 mt-30 -54.19 -53.09 62.82 Favored Pre-proline 0 N--CA 1.467 0.41 0 N-CA-C 112.997 0.74 . . . . 72.22 112.997 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -59.35 -21.58 61.45 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.211 1.941 . . . . 70.11 112.209 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 62.3 t -85.7 -44.59 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.052 -0.522 . . . . 73.41 109.928 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 58' ' ' PHE . 82.3 mt -56.02 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.43 0.633 . . . . 70.53 110.682 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.02 -0.991 . . . . 64.23 110.474 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 67' ' ' VAL . 23.1 tp60 -67.08 -45.21 77.97 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.645 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.451 HG22 HG12 ' A' ' 95' ' ' ILE . 2.5 mp -69.95 -37.81 73.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.259 -0.577 . . . . 71.33 110.438 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -62.78 -46.84 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.963 -0.295 . . . . 75.24 110.27 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.62 67.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 70.42 110.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.687 HD22 ' HA ' ' A' ' 106' ' ' SER . 19.9 mt -80.18 -39.05 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 72.53 111.957 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -70.63 -71.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.622 0.601 . . . . 71.43 112.622 -168.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.765 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 4.0 p-10 -75.29 92.82 2.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 122.163 0.982 . . . . 73.12 109.524 178.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.4 mtm -62.29 -29.39 70.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.325 -1.307 . . . . 72.53 110.777 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' OD1' ' HB3' ' A' ' 80' ' ' ASP . 1.5 p30 -83.23 -13.67 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 64.32 109.942 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.765 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 t-20 44.9 76.69 0.08 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.985 -1.007 . . . . 72.43 111.405 -175.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.525 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 9.3 p-10 -96.95 -36.66 10.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 61.14 110.529 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.51 6.5 38.36 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.694 -0.765 . . . . 73.4 112.676 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -121.34 -32.19 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.636 -0.505 . . . . 75.22 109.636 172.422 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.462 ' HE3' ' HZ ' ' A' ' 58' ' ' PHE . 51.7 ttm 71.62 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.946 -1.025 . . . . 63.25 110.536 -178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' OD2' HG12 ' A' ' 86' ' ' VAL . 26.2 t70 -67.26 168.68 10.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.487 -0.779 . . . . 75.45 109.934 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.62 -33.89 75.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.334 -0.393 . . . . 64.13 110.593 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.444 HG12 ' OD2' ' A' ' 84' ' ' ASP . 9.2 p -69.55 -39.43 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.826 0.346 . . . . 63.33 110.282 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 4.2 mm-40 -68.71 -39.51 80.42 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.604 0.716 . . . . 72.3 109.341 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.2 -31.49 72.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.837 . . . . 75.35 111.081 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 m -59.83 -31.61 69.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 64.24 111.891 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 87' ' ' GLU . 17.3 tt -86.7 -26.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 73.43 110.767 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.58 -34.08 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 51.4 111.699 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -23.25 67.35 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.509 0.559 . . . . 74.11 112.509 -173.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -100.4 -28.85 12.72 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.774 -0.37 . . . . 72.44 110.793 177.386 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.57 -38.57 84.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 64.31 111.75 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.451 HG12 HG22 ' A' ' 71' ' ' ILE . 15.7 mm -61.1 -49.45 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.37 . . . . 41.32 110.677 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.572 ' HD3' HD12 ' A' ' 99' ' ' LEU . 56.6 mmtt -66.95 -35.1 79.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.264 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 17.4 tp -59.72 -40.55 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.7 -0.682 . . . . 64.14 110.327 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HZ3' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -67.37 -38.76 85.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.564 -0.744 . . . . 64.21 110.064 178.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.572 HD12 ' HD3' ' A' ' 96' ' ' LYS . 74.0 mt -68.31 -29.95 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 75.03 111.226 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 14.0 mm100 -74.5 -13.35 60.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 70.01 110.952 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.51 40.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.884 -0.675 . . . . 71.42 113.185 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.405 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 86.8 m-85 -87.85 158.65 18.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.136 0.494 . . . . 74.01 110.421 178.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -87.24 138.4 31.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.76 -0.655 . . . . 44.33 110.626 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.566 HD21 ' HH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -168.32 88.4 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 74.11 109.997 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.54 -162.98 0.19 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 123.697 2.931 . . . . 71.15 112.702 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.687 ' HA ' HD22 ' A' ' 74' ' ' LEU . 2.8 p -69.96 -1.4 9.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.633 -0.712 . . . . 72.05 111.804 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.75 105.01 17.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.522 -0.763 . . . . 73.22 110.91 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 74' ' ' LEU . 21.7 mt -72.32 143.51 85.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.458 -0.337 . . . . 75.23 110.398 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 112' ' ' MET . 5.6 Cg_exo -75.15 153.51 41.15 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.921 2.414 . . . . 73.4 111.989 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -40.36 62.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.937 2.425 . . . . 72.34 112.658 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.1 -21.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 63.11 111.288 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.605 ' HA ' ' HE2' ' A' ' 112' ' ' MET . 0.4 OUTLIER -89.59 -40.01 12.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.694 -0.685 . . . . 71.23 111.81 -178.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -46.04 18.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 73.0 111.433 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.665 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 26.7 mm-40 52.84 -152.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.224 0.327 . . . . 72.45 111.075 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 114' ' ' GLN . 5.7 pt20 61.5 165.79 0.1 Allowed Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.612 1.165 . . . . 72.42 112.907 170.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -76.94 133.76 14.05 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.733 2.289 . . . . 54.32 111.758 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.44 153.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.266 -0.425 . . . . 75.44 110.324 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.03 91.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.875 0.734 . . . . 62.15 111.003 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.1 mm -105.76 107.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.046 -0.525 . . . . 73.32 110.13 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 m -147.62 165.05 31.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.976 -0.556 . . . . 71.3 109.731 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.459 -0.781 . . . . 64.22 109.863 -177.762 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.058 -0.349 . . . . 65.41 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.15 24.65 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.577 -1.009 . . . . 74.5 110.577 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -77.86 88.02 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.38 0.61 . . . . 71.53 111.066 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -146.12 93.74 2.37 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.777 0.799 . . . . 74.42 109.079 172.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -143.8 100.37 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 75.43 109.896 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.89 125.86 32.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.472 -0.331 . . . . 71.34 110.794 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -153.4 147.84 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.48 -0.563 . . . . 74.31 109.48 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -120.34 131.13 54.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.334 -0.247 . . . . 73.35 110.334 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -142.67 142.87 32.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 64.22 111.416 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -137.89 126.03 22.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.548 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.1 ttt -140.27 87.87 2.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.054 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.01 120.91 33.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.859 -0.609 . . . . 72.13 110.576 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -152.13 105.04 3.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.753 -0.658 . . . . 75.44 109.796 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -125.52 115.51 25.14 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.853 0.359 . . . . 62.12 110.896 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.08 143.54 10.33 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.909 2.406 . . . . 72.54 112.478 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -133.6 89.11 32.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 74.34 111.529 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -90.39 -177.53 1.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.797 2.331 . . . . 72.21 112.708 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -152.48 151.25 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.629 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.76 -151.66 7.12 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.311 -0.716 . . . . 74.4 111.311 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.28 -165.56 39.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.599 -0.81 . . . . 71.11 112.279 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.2 m 65.63 23.65 11.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.13 0.491 . . . . 74.44 111.27 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.723 ' HG ' ' H ' ' A' ' 23' ' ' ASP . 15.8 tp -149.34 -172.46 4.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.888 -0.782 . . . . 73.0 108.888 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.723 ' H ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m-20 55.02 28.92 11.43 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 121.506 0.669 . . . . 75.42 110.631 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -75.12 -39.5 60.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.42 -0.809 . . . . 74.31 111.285 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -94.19 -20.68 19.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.972 0.415 . . . . 73.53 111.083 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.44 143.08 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.96 -0.564 . . . . 74.01 110.808 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -103.45 88.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 29' ' ' VAL . 1.8 m -75.63 176.5 7.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.017 -0.992 . . . . 74.43 110.128 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 ' H ' HG23 ' A' ' 28' ' ' THR . 57.7 t -54.65 -37.13 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.802 0.334 . . . . 54.14 111.073 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -64.4 -41.51 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.222 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.62 -30.73 63.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 75.01 110.485 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -67.36 -52.29 41.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.081 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -20.01 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 61.15 111.067 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -56.29 -39.29 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.825 . . . . 64.31 110.95 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -57.8 -27.83 63.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.888 -0.597 . . . . 74.34 111.939 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.77 -55.51 25.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.47 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -68.16 -42.91 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 74.3 110.408 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' HG3' ' SD ' ' A' ' 92' ' ' MET . 84.6 mm-40 -58.44 -51.29 70.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 62.4 111.12 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.02 -36.18 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.072 -0.513 . . . . 75.52 110.853 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -71.02 -32.59 69.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.32 -0.4 . . . . 74.5 110.98 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -77.16 -19.38 56.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.467 -0.333 . . . . 73.24 110.682 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -71.05 -10.11 59.19 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.001 -0.545 . . . . 53.01 110.367 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 57.41 80.84 0.27 Allowed Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.15 111.945 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.47 149.73 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.244 1.963 . . . . 74.24 111.447 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.46 -42.49 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.113 0.483 . . . . 74.12 110.439 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -155.66 14.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.371 0.605 . . . . 60.32 109.538 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.17 -14.79 6.95 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.417 -0.81 . . . . 63.22 111.093 -171.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -117.24 159.76 22.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.912 -0.403 . . . . 75.33 109.912 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.636 ' HB ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 pp -131.75 -174.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.025 -0.534 . . . . 75.51 109.745 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.459 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.7 t -161.37 173.06 15.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.577 -0.449 . . . . 61.34 111.25 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.73 -45.16 96.83 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.027 -0.533 . . . . 72.33 113.671 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.73 -43.39 94.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 72.31 111.445 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.636 ' OE1' ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.94 -31.93 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.891 -0.323 . . . . 75.15 110.534 -179.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.4 90.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.878 0.371 . . . . 72.42 110.556 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -52.89 -43.78 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 63.22 111.354 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -70.73 -50.42 36.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.259 -0.428 . . . . 63.34 110.751 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -56.63 -49.15 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.51 110.802 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.697 ' HB3' HD21 ' A' ' 68' ' ' LEU . 4.9 m-85 -59.01 -46.38 88.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 74.11 111.266 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.564 ' HA ' HD13 ' A' ' 68' ' ' LEU . 58.1 t80 -67.34 -31.02 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.065 0.459 . . . . 61.25 110.947 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.55 5.52 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.1 -0.5 . . . . 75.35 112.29 -178.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.45 ' HB2' HD12 ' A' ' 99' ' ' LEU . 87.5 p -83.26 -31.02 27.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 74.31 110.01 175.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.81 9.95 15.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.847 -0.692 . . . . 61.44 112.483 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB2' HD22 ' A' ' 68' ' ' LEU . 78.8 mt -99.88 144.45 28.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.299 -0.26 . . . . 64.22 110.299 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 23.6 Cg_exo -66.24 152.84 80.13 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.919 2.413 . . . . 75.44 112.121 175.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 26.5 mt-30 -55.65 -47.65 98.22 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 113.293 0.849 . . . . 71.21 113.293 -176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.2 Cg_exo -54.99 -36.41 92.41 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.809 1.673 . . . . 72.24 112.008 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.434 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 57.5 t -73.78 -37.97 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 63.34 110.361 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 58' ' ' PHE . 95.5 mt -64.55 -46.13 84.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.56 -0.745 . . . . 45.52 111.024 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.85 64.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.203 -0.908 . . . . 73.2 111.043 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.77 -38.07 85.83 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.985 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.774 HD11 HD13 ' A' ' 95' ' ' ILE . 90.9 mt -67.83 -43.72 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 74.33 110.16 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -67.15 -45.34 77.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 75.22 110.893 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.57 64.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.11 0.481 . . . . 62.45 110.62 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.9 HD21 ' HG ' ' A' ' 108' ' ' LEU . 13.7 mt -91.52 -27.3 18.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.526 -0.761 . . . . 74.32 111.823 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.132 -0.485 . . . . 72.53 111.181 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.573 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 1.8 p-10 -83.13 96.09 8.29 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.795 -0.817 . . . . 65.41 108.795 171.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.1 mtm -59.21 -30.8 68.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.58 -1.191 . . . . 65.52 112.039 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.42 -12.19 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.404 0.621 . . . . 72.31 109.606 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.573 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 52.2 71.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.68 -1.146 . . . . 73.22 111.593 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -87.59 -16.33 34.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.269 -0.878 . . . . 63.12 109.453 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.71 34.59 48.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.704 -0.76 . . . . 62.33 112.308 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -140.13 -21.99 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.851 0.315 . . . . 65.42 111.851 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 ptp 45.79 -164.74 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.102 0.876 . . . . 74.32 111.593 -168.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 16.9 t70 -176.76 179.78 1.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.675 -1.232 . . . . 73.24 107.675 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -24.57 61.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.773 -0.454 . . . . 64.23 109.773 178.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.35 -52.92 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 63.42 109.891 175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 90' ' ' ILE . 16.3 mp0 -68.01 -34.64 76.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.341 -0.391 . . . . 45.15 111.082 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.44 -28.26 69.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.74 -0.209 . . . . 74.23 111.0 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -62.63 -26.46 68.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 70.33 110.786 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.1 tt -98.03 -24.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 75.15 110.32 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.25 -33.38 56.04 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.935 -0.575 . . . . 44.23 111.556 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.437 ' SD ' ' HG3' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.07 -28.73 69.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.946 0.403 . . . . 73.54 110.937 -178.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.863 ' HD3' ' HE1' ' A' ' 112' ' ' MET . 53.2 tttp -71.58 -29.65 64.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.545 . . . . 61.15 109.768 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -26.17 53.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.067 -0.515 . . . . 54.5 111.125 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.774 HD13 HD11 ' A' ' 71' ' ' ILE . 29.0 mm -61.98 -52.07 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.294 -0.632 . . . . 73.42 109.294 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -64.75 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 74.23 110.976 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.711 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.3 tp -59.92 -47.19 86.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 74.2 111.07 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.605 ' HD2' HD13 ' A' ' 71' ' ' ILE . 53.0 mttm -73.49 -33.53 64.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.407 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 61' ' ' SER . 79.7 mt -67.3 -30.84 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 74.42 110.502 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -74.07 -25.82 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.307 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.69 23.17 2.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.453 -0.88 . . . . 71.13 113.825 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.711 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 73.8 m-85 -102.63 149.53 24.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.691 0.757 . . . . 75.24 111.208 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -140.9 93.77 2.64 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.724 -1.126 . . . . 71.23 110.269 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 148.11 35.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.398 -0.819 . . . . 63.34 109.693 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 74' ' ' LEU . 91.7 Cg_endo -78.44 -162.19 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.52 2.813 . . . . 70.43 112.791 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.468 ' HA ' HD22 ' A' ' 74' ' ' LEU . 32.5 p -71.79 9.56 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 62.02 111.999 -175.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' ' 105' ' ' PRO . . . -102.06 94.97 6.04 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.547 -0.751 . . . . 75.33 111.429 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.9 ' HG ' HD21 ' A' ' 74' ' ' LEU . 13.5 mt -73.0 143.63 84.24 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.8 -0.445 . . . . 71.32 109.8 172.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 11.9 Cg_exo -71.95 152.26 57.3 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.252 1.968 . . . . 73.32 112.081 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_exo -67.76 -22.59 43.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.928 2.419 . . . . 72.31 112.468 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.62 -29.89 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 60.24 111.28 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.863 ' HE1' ' HD3' ' A' ' 93' ' ' LYS . 79.3 mtp -81.68 -41.3 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 73.1 110.89 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.68 -27.11 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.118 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 88.1 mt-30 55.02 -167.53 0.09 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.914 -0.584 . . . . 74.31 109.62 -171.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 114' ' ' GLN . 8.7 pt20 55.15 170.74 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.99 0.916 . . . . 74.43 112.551 176.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.99 -172.83 0.76 Allowed 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 122.628 2.219 . . . . 72.43 112.396 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.58 133.1 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.229 0.538 . . . . 74.13 110.975 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -98.2 -11.84 22.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 60.44 110.035 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.2 mt -123.44 125.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.269 -0.878 . . . . 75.23 109.718 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.3 m -74.35 109.89 8.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.994 0.426 . . . . 75.45 110.533 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.622 -0.704 . . . . 63.34 109.879 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.812 0.339 . . . . 74.1 110.428 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.73 117.88 0.83 Allowed Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.196 -0.761 . . . . 74.21 111.196 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -75.94 -46.5 29.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.428 0.158 . . . . 70.03 111.428 -173.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 57.66 32.73 22.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.584 0.707 . . . . 75.24 109.319 -172.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -113.48 127.82 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.182 -0.917 . . . . 75.04 111.241 -171.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 70.47 97.5 0.07 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.959 0.787 . . . . 73.53 111.626 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -129.29 -175.3 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.854 -0.795 . . . . 75.45 108.854 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -89.17 90.86 8.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.137 0.494 . . . . 71.21 109.764 176.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -70.42 114.56 8.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.422 -0.808 . . . . 64.25 110.939 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -117.27 -47.15 2.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.836 -0.431 . . . . 74.33 109.836 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 90.2 mmm 62.17 13.89 6.2 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.612 -0.722 . . . . 75.32 112.521 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.13 6.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 60.54 110.011 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -140.76 -42.86 0.39 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 75.32 110.291 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 63.66 85.66 0.16 Allowed Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.918 0.761 . . . . 71.53 110.682 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 106.94 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.004 2.469 . . . . 70.33 112.318 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.61 ' HB ' ' HD3' ' A' ' 17' ' ' PRO . 47.3 m -116.59 -50.21 0.04 OUTLIER Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 114.506 -1.224 . . . . 75.15 110.956 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.61 ' HD3' ' HB ' ' A' ' 16' ' ' THR . 72.4 Cg_exo -50.53 122.24 9.23 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.391 2.061 . . . . 71.51 112.303 174.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -113.61 -177.34 3.11 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.555 -0.748 . . . . 75.22 110.953 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.69 -170.81 12.18 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.579 -0.608 . . . . 73.24 111.579 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.0 179.14 26.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.593 -0.813 . . . . 38.27 112.328 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -121.99 122.74 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.642 0.258 . . . . 63.44 110.414 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.2 tp -123.1 -11.54 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.388 0.613 . . . . 74.14 110.268 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -128.67 125.42 38.01 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.56 -0.746 . . . . 74.1 109.161 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -130.16 -48.16 1.1 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.536 -0.757 . . . . 64.13 110.906 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.4 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 98.4 m95 -78.68 -25.63 44.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.39 . . . . 72.34 111.125 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.33 143.66 52.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 65.21 111.083 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -96.12 95.37 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 71.43 110.051 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -74.43 164.04 27.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.241 -0.89 . . . . 73.33 110.06 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.67 -33.81 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.964 0.411 . . . . 72.12 111.032 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.87 -46.22 91.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 72.44 110.62 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.97 -38.49 91.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.179 0.514 . . . . 74.0 110.07 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 25.1 ttp85 -67.88 -47.91 67.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.751 -0.659 . . . . 63.44 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.13 80.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 72.43 111.003 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HD3' ' SD ' ' A' ' 92' ' ' MET . 13.3 tttt -62.15 -26.73 68.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 74.24 110.813 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 10.5 m-70 -58.26 -47.33 83.92 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.869 0.366 . . . . 74.11 110.279 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.78 -42.24 88.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 70.51 111.206 -172.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -61.65 -46.91 87.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.153 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.2 mt-30 -75.78 -38.64 58.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.365 . . . . 63.24 110.484 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.493 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 11.8 t80 -61.11 -41.98 97.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 65.02 110.076 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -55.31 -42.43 73.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.774 . . . . 75.03 110.347 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -75.59 -19.0 59.55 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.441 -0.8 . . . . 75.11 111.669 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.562 HD23 ' HD1' ' A' ' 57' ' ' PHE . 85.9 mt -76.19 -12.93 60.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.785 0.291 . . . . 74.11 111.785 -176.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 66.23 68.24 0.64 Allowed Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.616 0.572 . . . . 75.53 110.448 -174.58 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 43.7 Cg_endo -70.6 158.9 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.361 2.04 . . . . 73.34 112.039 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 45' ' ' ILE . 3.9 mp -101.22 106.11 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.688 -0.856 . . . . 72.41 108.688 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t 65.93 -74.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.822 0.702 . . . . 65.12 110.447 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.71 27.66 0.24 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.67 -0.572 . . . . 51.51 111.67 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -146.01 165.99 27.41 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.919 0.39 . . . . 74.04 111.126 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.9 pt -143.7 -176.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.673 -0.694 . . . . 70.25 109.825 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -143.91 -179.36 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.252 -0.647 . . . . 71.12 109.252 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.98 62.04 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.565 -0.35 . . . . 72.03 113.575 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.64 -42.81 97.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 74.3 110.813 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.8 -42.32 41.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.699 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.91 86.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 74.22 111.943 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.744 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 14.6 ptm180 -60.9 -36.72 80.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 73.31 111.282 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.57 -33.05 75.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.53 -0.305 . . . . 75.22 111.002 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' HD1' HD23 ' A' ' 42' ' ' LEU . 68.7 t80 -60.16 -58.28 9.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 71.53 111.19 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.744 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 11.7 p90 -77.26 -22.5 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.169 -0.612 . . . . 65.22 111.37 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.5 -31.91 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 72.04 110.382 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -67.14 -9.55 41.04 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.742 -0.663 . . . . 62.13 111.964 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' HD23 ' A' ' 99' ' ' LEU . 90.0 p -70.35 -40.94 73.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 71.22 110.949 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.42 11.33 29.44 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.673 -0.775 . . . . 71.04 111.709 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.19 157.38 65.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.274 -0.269 . . . . 74.11 110.274 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.548 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.6 Cg_exo -67.22 152.76 79.02 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.703 2.269 . . . . 70.14 112.182 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 48.7 mt-30 -54.37 -45.7 99.23 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 112.974 0.731 . . . . 73.01 112.974 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 75.3 Cg_exo -52.62 -41.7 66.97 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.018 1.812 . . . . 73.42 112.47 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.18 -39.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 88.3 mt -58.38 -48.56 80.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.626 -0.715 . . . . 73.45 110.687 176.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.81 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.201 -0.909 . . . . 73.35 110.874 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.41 -41.16 73.31 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.302 -0.408 . . . . 64.14 110.871 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -54.74 -46.43 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.956 0.408 . . . . 74.24 110.079 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.818 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.7 t90 -66.14 -43.7 86.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.623 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.83 94.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.121 0.415 . . . . 40.41 112.121 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.847 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.3 mp -77.94 -34.33 51.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 72.42 111.325 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.34 -42.92 43.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 74.31 112.188 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.658 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 26.9 t0 -76.1 76.59 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.075 -0.713 . . . . 70.01 109.075 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.0 mtm -63.57 -30.56 71.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.121 -0.945 . . . . 72.23 111.495 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -84.99 -11.66 54.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.946 0.403 . . . . 75.32 110.01 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.97 49.77 13.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.543 -0.753 . . . . 74.13 109.096 -177.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 36.7 t70 -78.09 -34.99 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.458 -0.792 . . . . 74.32 109.943 -176.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.818 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.99 2.57 71.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.611 -0.804 . . . . 61.22 111.709 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 52.1 mtp85 -117.63 -26.18 6.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.227 -0.486 . . . . 64.25 110.838 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.1 ttm 62.51 91.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.205 0.941 . . . . 74.11 110.163 -173.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.93 165.85 24.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.388 -0.597 . . . . 73.32 109.388 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 37.3 mm-40 -52.26 -25.99 10.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.39 0.515 . . . . 71.43 112.39 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.14 -50.45 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 75.2 110.311 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.658 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.3 mp0 -67.18 -36.82 82.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.055 0.455 . . . . 70.44 110.237 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 90.9 t80 -60.8 -33.51 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 72.13 110.391 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 t -59.1 -42.22 89.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.676 -0.693 . . . . 65.44 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.595 HG13 ' HE3' ' A' ' 112' ' ' MET . 17.9 tt -89.36 -28.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.998 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.53 84.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.981 0.42 . . . . 74.2 111.107 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 ttp -64.54 -29.75 70.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 73.12 110.53 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -85.79 -30.51 22.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.495 -0.775 . . . . 75.44 110.609 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.03 -39.71 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.117 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.1 mt -54.94 -43.82 70.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 73.23 111.217 -176.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -56.7 -45.91 81.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 70.14 110.97 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 3.8 mm? -80.25 -33.52 37.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.097 -0.501 . . . . 63.21 111.024 -177.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.842 ' HZ3' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.16 -39.47 94.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.727 -0.215 . . . . 74.55 110.924 178.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 61' ' ' SER . 71.9 mt -65.12 -28.07 69.18 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.474 0.484 . . . . 70.22 110.959 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -79.33 -26.18 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 75.52 110.352 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.66 43.39 2.5 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.42 114.097 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.554 ' CE1' ' HE2' ' A' ' 98' ' ' LYS . 4.1 p90 -86.3 169.46 12.95 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 117.488 0.644 . . . . 74.13 110.001 173.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -140.64 136.89 33.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.376 -0.829 . . . . 72.32 110.293 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.414 ' HG ' ' HD2' ' A' ' 105' ' ' PRO . 20.0 tp -165.78 146.93 5.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.695 -0.854 . . . . 74.21 108.695 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HD2' ' HG ' ' A' ' 104' ' ' LEU . 33.5 Cg_exo -59.0 171.6 2.08 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 71.52 112.892 176.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.847 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 16.1 m -67.2 -17.25 64.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.596 -0.729 . . . . 74.51 110.94 -175.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.26 105.16 17.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.02 -0.536 . . . . 70.31 110.425 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.76 157.77 48.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.698 -0.683 . . . . 71.2 110.345 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 34.9 Cg_exo -58.77 152.52 56.25 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.571 2.181 . . . . 73.14 112.667 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.7 Cg_exo -69.73 -11.48 30.98 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.072 2.515 . . . . 73.31 112.654 -177.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.75 -32.99 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.129 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.595 ' HE3' HG13 ' A' ' 90' ' ' ILE . 71.0 mtp -82.88 -21.65 34.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 74.54 111.531 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.555 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -107.22 -24.8 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 74.51 110.699 -176.165 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.555 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 32.4 mm-40 58.08 -163.68 0.2 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.865 -0.607 . . . . 74.14 111.907 176.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -83.12 147.01 52.81 Favored Pre-proline 0 N--CA 1.439 -1.015 0 CA-C-N 116.033 -0.531 . . . . 74.3 109.814 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.16 141.07 97.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.369 2.046 . . . . 73.23 111.41 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.0 t -66.45 139.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 64.21 110.121 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.35 92.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.155 0.91 . . . . 72.21 111.158 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.23 -48.18 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.844 -0.616 . . . . 75.41 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.4 m -88.85 89.85 8.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 74.23 110.334 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.099 -0.953 . . . . 74.43 111.144 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.767 0.318 . . . . 62.21 110.427 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.16 -160.16 21.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.15 -0.548 . . . . 73.11 112.826 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -137.19 -73.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 73.24 110.625 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.438 ' O ' ' HD2' ' A' ' 6' ' ' HIS . 61.8 t60 -138.01 -17.21 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 75.23 110.967 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -80.49 101.96 9.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.831 -0.433 . . . . 71.41 109.831 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 4' ' ' HIS . 11.9 p80 -122.21 155.66 35.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 75.23 111.135 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -119.56 -179.31 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 74.1 110.408 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -93.67 155.76 17.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.359 -0.608 . . . . 73.11 109.359 173.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -153.5 116.51 4.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.992 0.425 . . . . 72.35 111.201 -176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -113.18 137.01 52.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.722 -0.672 . . . . 74.41 109.759 173.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.2 mtt -139.04 71.84 1.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.385 0.612 . . . . 74.22 109.999 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.53 71.13 0.76 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.707 -0.678 . . . . 63.34 110.217 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.62 108.93 20.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 75.0 110.522 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -121.25 107.29 37.34 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 74.53 110.315 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.64 93.5 0.96 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.874 2.382 . . . . 73.23 110.624 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 t -96.85 130.98 28.79 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.337 -0.847 . . . . 75.45 110.661 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.13 169.84 14.36 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.776 2.317 . . . . 54.32 111.784 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB3' ' H ' ' A' ' 19' ' ' GLY . 91.8 m-85 67.63 -160.2 0.22 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 72.24 111.197 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' H ' ' HB3' ' A' ' 18' ' ' PHE . . . 86.8 43.84 5.93 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 109.923 -1.271 . . . . 74.12 109.923 -172.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.15 147.34 9.56 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.031 -0.828 . . . . 53.41 111.031 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 m -96.43 85.97 4.05 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.666 -0.494 . . . . 75.15 109.666 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 tp -112.48 151.18 30.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.899 -0.592 . . . . 72.32 111.102 -173.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.15 86.43 0.04 OUTLIER 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.976 0.91 . . . . 73.14 112.394 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -115.36 -47.49 2.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.368 -0.833 . . . . 71.04 109.72 177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.553 ' O ' ' HG2' ' A' ' 112' ' ' MET . 92.3 m95 -83.87 -25.66 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.53 109.981 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 147.45 46.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.676 -0.693 . . . . 40.33 111.006 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mt -105.7 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.129 0.49 . . . . 74.44 110.41 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.98 -178.74 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.636 -0.711 . . . . 72.41 109.421 175.453 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' H ' HG22 ' A' ' 28' ' ' THR . 43.7 t -59.13 -44.01 90.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.327 . . . . 75.2 110.498 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.52 -41.9 98.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.516 . . . . 65.12 110.935 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.83 -32.85 72.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.015 0.436 . . . . 72.42 110.483 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -65.64 -50.36 65.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.205 -0.452 . . . . 65.21 109.928 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -24.36 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.986 -0.552 . . . . 72.22 111.648 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -56.63 -27.08 57.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.612 -0.722 . . . . 75.34 111.646 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -61.23 -34.22 74.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.857 0.36 . . . . 73.13 111.052 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.23 -50.09 75.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.696 -0.684 . . . . 73.44 111.604 -175.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -60.06 -39.24 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.538 . . . . 53.31 111.325 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -76.35 -40.9 50.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.814 0.34 . . . . 72.44 110.651 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.584 ' HE1' HD12 ' A' ' 49' ' ' ILE . 28.7 t80 -64.81 -38.91 92.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 72.13 110.413 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -59.55 -40.2 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 74.41 110.839 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 m -76.44 -18.15 58.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.551 0.574 . . . . 62.23 112.551 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD13 HG23 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -73.25 -12.46 60.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 75.42 110.772 -176.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 62.84 65.98 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.686 -0.688 . . . . 54.53 111.442 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.95 129.57 16.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.135 1.89 . . . . 74.35 111.121 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.411 HD13 ' H ' ' A' ' 45' ' ' ILE . 4.3 mp -72.72 -72.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.795 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.44 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 14.8 m -102.62 32.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 72.01 110.845 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 7.56 61.95 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.884 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 37.5 p90 -149.46 169.45 20.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.911 -0.403 . . . . 73.03 109.911 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.623 HD11 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.96 -179.39 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 72.25 110.087 178.213 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -138.82 173.47 11.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.446 -0.343 . . . . 71.13 110.574 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.19 -35.22 64.2 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 123.272 0.358 . . . . 74.04 112.846 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.26 -48.66 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 73.14 110.788 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -38.94 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.509 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.66 37.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.742 -0.663 . . . . 74.34 110.593 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -58.7 -43.28 90.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 64.35 111.354 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.77 -43.16 94.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.303 -0.408 . . . . 72.43 110.479 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.34 -48.74 66.63 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.946 -0.57 . . . . 73.24 110.173 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.015 ' HB3' HD21 ' A' ' 68' ' ' LEU . 23.3 m-30 -53.04 -53.69 46.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.963 -0.562 . . . . 74.04 110.96 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -64.12 -39.95 95.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.651 -0.704 . . . . 73.22 111.146 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -20.18 65.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.014 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.808 ' HB3' HD12 ' A' ' 99' ' ' LEU . 49.5 m -76.1 -12.73 60.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 53.01 111.03 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.62 36.14 5.18 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.684 -0.77 . . . . 64.31 112.964 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.5 143.77 47.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.808 -0.441 . . . . 74.05 109.808 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.608 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 Cg_exo -77.45 158.09 32.7 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.274 2.65 . . . . 64.35 112.333 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 53.0 mt-30 -53.26 -47.52 95.71 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 113.807 1.04 . . . . 65.42 113.807 -176.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.14 -19.15 40.09 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.089 1.859 . . . . 74.1 112.481 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.22 -31.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.988 -0.551 . . . . 64.22 109.987 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 1.015 HD21 ' HB3' ' A' ' 58' ' ' PHE . 44.9 mt -68.61 -49.42 59.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 74.3 110.309 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.74 67.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.163 -0.926 . . . . 73.01 110.602 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -44.15 92.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.469 -0.567 . . . . 73.23 109.469 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.752 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.1 mt -66.04 -48.47 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.504 . . . . 60.43 109.688 175.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.627 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 14.7 t90 -60.4 -45.69 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.923 -1.035 . . . . 65.05 111.73 -174.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.05 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 63.15 110.84 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.533 HD11 ' O ' ' A' ' 105' ' ' PRO . 15.6 mt -81.26 -30.9 33.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 75.32 112.018 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . . . -64.2 -71.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.793 -170.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.603 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 9.0 p-10 -85.15 95.75 9.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.853 0.835 . . . . 72.4 108.774 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.9 mtm -51.62 -32.0 27.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.081 -1.418 . . . . 73.35 112.834 -175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.36 -13.27 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 72.24 110.823 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.66 67.98 0.9 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.486 -0.779 . . . . 73.31 109.555 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -101.25 -29.01 12.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.105 -0.952 . . . . 54.04 109.746 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.627 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 84.86 19.87 58.84 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.561 -0.745 . . . . 63.42 112.511 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -122.56 -31.84 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.898 -0.178 . . . . 74.13 110.605 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.587 ' HE3' ' HZ ' ' A' ' 58' ' ' PHE . 14.5 ptp 44.87 106.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.605 1.191 . . . . 72.43 113.361 -174.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.1 171.6 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.468 -0.787 . . . . 74.13 109.369 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.92 -28.02 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.255 0.222 . . . . 74.1 110.665 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.47 -56.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 74.13 109.83 174.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.603 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 18.6 mp0 -62.65 -37.45 86.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 73.04 111.249 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.15 -28.97 68.56 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.173 -0.329 . . . . 75.44 110.702 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.6 t -65.24 -23.11 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 74.22 110.925 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.506 HD11 HD21 ' A' ' 108' ' ' LEU . 14.0 tt -105.4 -25.8 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.039 0.447 . . . . 54.14 110.562 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -69.2 -36.32 77.16 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.308 0.484 . . . . 63.12 112.308 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -24.84 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.61 -0.268 . . . . 74.32 111.362 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -69.99 -36.63 75.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.659 0.266 . . . . 73.24 110.343 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.752 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.1 tp -64.32 -39.42 93.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 72.53 110.527 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.424 HD11 ' HE1' ' A' ' 58' ' ' PHE . 37.9 mt -62.26 -46.61 96.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 64.04 109.741 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -58.27 -46.76 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.991 -1.004 . . . . 72.14 110.379 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.78 -38.51 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.34 111.835 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HD2' HD13 ' A' ' 71' ' ' ILE . 40.3 mttm -66.85 -41.77 86.8 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.708 0.262 . . . . 74.24 111.708 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' A' ' 61' ' ' SER . 64.4 mt -70.87 -20.49 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.069 0.461 . . . . 74.01 110.47 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -75.33 -26.75 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 64.12 110.08 172.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.75 19.58 6.86 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.898 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.51 168.57 10.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.459 0.647 . . . . 72.51 111.542 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -147.08 149.02 32.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.175 -0.92 . . . . 74.42 109.791 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.804 HD22 ' HD3' ' A' ' 109' ' ' PRO . 19.3 tp -143.01 146.11 35.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.594 -0.891 . . . . 72.42 108.594 -178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.533 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.2 Cg_endo -85.08 -168.05 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.017 1.811 . . . . 74.31 112.248 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 p -73.89 -4.65 36.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.327 0.584 . . . . 73.31 111.076 -177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.66 99.82 12.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.381 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.738 HD22 ' HD2' ' A' ' 109' ' ' PRO . 3.5 tt -71.08 139.16 84.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.862 -1.162 . . . . 64.5 107.862 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.804 ' HD3' HD22 ' A' ' 104' ' ' LEU . 17.2 Cg_exo -69.91 150.22 66.98 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 121.596 1.53 . . . . 65.15 112.443 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 74.1 Cg_endo -77.43 -7.14 16.8 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.676 2.251 . . . . 75.45 111.714 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.57 -22.56 8.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 64.3 110.041 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 65.6 mtp -92.56 -46.67 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 64.11 110.468 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -79.16 -18.93 52.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 73.41 110.316 177.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 47.4 mt-30 60.8 -162.91 0.26 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.472 -0.785 . . . . 74.54 112.014 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -85.11 132.61 44.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 71.05 109.536 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.48 119.72 4.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.592 2.195 . . . . 74.24 111.987 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.52 125.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.261 -0.881 . . . . 73.41 111.599 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -157.39 123.23 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.626 -0.715 . . . . 75.12 110.344 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.46 83.99 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.17 -0.678 . . . . 74.05 109.17 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -152.55 156.2 38.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.471 -0.786 . . . . 62.41 110.345 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.728 -0.653 . . . . 63.1 109.327 177.898 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.467 0.543 . . . . 70.5 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -115.64 22.95 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.364 0.602 . . . . 71.24 112.028 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.83 150.91 50.13 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.42 -0.809 . . . . 61.14 110.494 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' A' ' 31' ' ' GLU . 73.7 mt -92.55 109.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.329 0.585 . . . . 52.3 110.215 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.01 166.89 22.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.201 -0.909 . . . . 71.44 110.888 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.69 -24.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 72.42 109.748 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.24 -47.43 79.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.467 -0.788 . . . . 61.31 110.356 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 28' ' ' THR . 6.6 mm-40 -63.34 -36.33 83.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.418 0.628 . . . . 71.41 109.642 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -57.56 -42.31 82.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.192 -0.913 . . . . 75.5 110.209 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.83 57.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.042 -0.527 . . . . 63.12 111.013 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -58.74 -33.72 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.881 0.697 . . . . 71.42 112.881 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -27.45 67.82 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.675 -0.41 . . . . 73.04 111.693 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.06 -42.99 55.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.229 -0.442 . . . . 73.01 110.95 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -66.85 -41.09 87.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 71.24 110.518 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 65.0 mm-40 -69.41 -36.82 77.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.765 -0.457 . . . . 70.32 109.765 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.822 ' HA ' HD12 ' A' ' 42' ' ' LEU . 52.5 t80 -61.76 -37.19 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.793 -0.64 . . . . 73.12 110.113 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.43 -41.98 86.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 74.24 109.927 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 m -76.23 -17.05 59.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.454 -0.794 . . . . 51.04 112.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 49' ' ' ILE . 53.4 mt -69.6 -4.4 19.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.102 0.408 . . . . 51.01 112.102 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 mttt 59.27 61.49 4.4 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.674 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 33.3 Cg_exo -57.54 139.55 90.52 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.192 1.928 . . . . 73.44 111.986 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.6 mp -71.14 -57.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 63.01 110.303 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.46 ' HB2' ' HE1' ' A' ' 48' ' ' PHE . 19.3 m -141.27 51.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.966 -0.561 . . . . 64.02 110.335 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.08 3.8 72.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.872 -0.68 . . . . 64.24 111.726 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 46' ' ' SER . 44.2 p90 -142.76 161.25 38.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.079 -0.341 . . . . 72.04 110.079 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.857 HD13 HD13 ' A' ' 42' ' ' LEU . 25.9 pt -115.55 -164.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.007 -0.542 . . . . 64.51 110.05 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -155.93 167.93 28.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.963 -0.562 . . . . 71.23 109.573 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.48 -23.19 62.33 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.479 -0.391 . . . . 62.23 112.809 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -73.15 -38.25 66.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 64.33 110.233 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.72 -34.04 62.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 65.32 110.113 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.48 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.678 -0.692 . . . . 41.23 110.913 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.663 ' HA ' HD21 ' A' ' 68' ' ' LEU . 14.6 ptt180 -60.48 -35.3 75.57 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.189 -0.46 . . . . 72.0 110.645 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -64.3 -53.43 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.424 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.53 -54.05 51.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.817 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.73 ' HB2' HD23 ' A' ' 68' ' ' LEU . 10.5 m-85 -64.17 -38.55 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 74.22 110.975 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -64.2 -43.47 94.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 72.12 109.711 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -64.48 -19.68 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.939 -1.028 . . . . 63.41 110.945 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 m -76.13 -5.54 47.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.5 . . . . 43.11 111.208 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.51 32.89 5.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 32.54 112.917 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 34.1 mt -110.52 144.17 29.66 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.528 0.204 . . . . 75.52 110.563 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 28.3 Cg_exo -62.99 153.02 76.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.961 2.44 . . . . 52.35 112.169 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.551 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.5 tt0 -58.46 -47.23 99.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.036 -0.529 . . . . 71.23 112.286 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.3 Cg_endo -54.4 -41.34 77.54 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.026 1.817 . . . . 72.14 112.211 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.09 -45.3 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 44.4 110.358 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 58' ' ' PHE . 2.3 tm? -57.56 -48.6 78.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.313 -0.858 . . . . 60.03 110.732 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.67 79.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.497 . . . . 71.21 111.244 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -42.9 78.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.024 -0.535 . . . . 70.21 110.008 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.62 -42.97 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.488 . . . . 73.44 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -64.56 -40.1 94.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.844 0.354 . . . . 72.31 110.549 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.84 62.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 70.31 111.425 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 94' ' ' LEU . 3.6 mt -94.54 -25.04 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 63.23 111.668 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.85 -71.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.369 0.507 . . . . 61.14 112.369 -173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.643 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 5.0 p-10 -90.74 95.32 10.08 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.237 0.541 . . . . 75.32 109.84 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -49.19 -35.7 17.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.035 -0.984 . . . . 65.42 112.48 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -78.94 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.841 0.353 . . . . 75.41 110.692 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.643 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 66.6 t30 50.44 71.67 0.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 73.34 109.811 -170.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.4 -19.03 28.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.971 -1.013 . . . . 61.12 109.743 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.43 -15.3 46.5 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.515 -0.766 . . . . 71.23 112.489 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -97.42 -40.61 8.61 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.66 -0.318 . . . . 71.43 110.828 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.7 ttm 60.73 93.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.259 0.974 . . . . 72.01 109.938 -171.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.4 t0 -74.27 166.57 23.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.489 -0.56 . . . . 74.22 109.489 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -59.61 -19.5 49.41 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.047 -0.524 . . . . 74.42 111.401 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -56.49 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 63.22 110.202 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.6 mp0 -61.33 -42.62 98.98 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.946 0.403 . . . . 75.51 110.523 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CE1' HD11 ' A' ' 42' ' ' LEU . 70.7 t80 -60.83 -29.2 69.35 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.006 -0.278 . . . . 72.52 111.056 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 t -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 73.42 110.997 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 87' ' ' GLU . 16.2 tt -97.11 -25.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.092 0.473 . . . . 54.1 110.014 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.68 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 51.0 111.969 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 16.7 ptm -61.64 -30.36 70.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 65.11 111.333 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -72.25 -26.14 61.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.346 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -64.62 -44.36 90.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.623 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -58.3 -48.47 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.145 0.498 . . . . 54.22 109.722 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.613 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 87.3 tttt -63.08 -44.81 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.463 -0.789 . . . . 64.31 110.706 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.63 -43.56 89.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.471 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -71.96 -28.63 63.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.823 -0.351 . . . . 71.03 110.742 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.9 -8.33 55.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.338 . . . . 74.15 110.833 174.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 29.4 mm-40 -91.48 -1.4 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 45.22 110.026 173.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.1 61.55 1.08 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.916 -0.659 . . . . 74.51 112.072 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -143.7 171.49 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.381 0.61 . . . . 74.12 111.65 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.95 164.0 38.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.674 -1.148 . . . . 71.45 108.246 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 104' ' ' LEU . 2.0 pt? -159.93 158.91 27.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 121.094 -0.243 . . . . 73.14 111.257 -177.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.455 ' O ' HD21 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -75.41 -171.68 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.371 2.714 . . . . 75.3 112.485 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 p -83.24 5.17 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.351 0.596 . . . . 64.44 111.584 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.09 121.67 36.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.577 -0.738 . . . . 51.45 111.135 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 2.7 mm? -79.4 149.26 71.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.794 -0.447 . . . . 64.53 109.794 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 18.2 Cg_exo -66.63 151.58 82.44 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 121.94 1.76 . . . . 74.3 110.92 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 39.4 Cg_exo -62.71 -23.54 74.58 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.709 2.273 . . . . 63.45 113.02 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -30.33 42.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.304 0.573 . . . . 71.1 109.986 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.436 ' HG2' HG13 ' A' ' 90' ' ' ILE . 16.7 ttt -81.16 -25.55 36.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.339 -0.846 . . . . 75.1 109.504 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 109' ' ' PRO . 5.9 mmmm -76.2 -43.74 41.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.393 -0.821 . . . . 74.03 109.304 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' OE1' ' HB ' ' A' ' 27' ' ' ILE . 51.5 mt-30 . . . . . 0 CA--C 1.517 -0.317 0 CA-C-N 114.417 -1.265 . . . . 41.24 111.421 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.62 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 14.4 m . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.888 0.375 . . . . 71.22 111.381 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.497 ' HH2' HD11 ' A' ' 104' ' ' LEU . 38.6 m95 -113.82 9.28 17.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.335 0.588 . . . . 73.42 111.292 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 171.84 7.18 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.525 -0.761 . . . . 63.43 110.602 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.417 HD11 HG13 ' A' ' 90' ' ' ILE . 87.6 mt -108.96 129.55 63.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.242 -0.435 . . . . 60.45 109.918 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.94 -178.47 4.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.725 -0.671 . . . . 72.44 110.691 -176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.771 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 48.6 t -68.91 -32.62 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.97 0.414 . . . . 73.21 110.861 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -30.13 67.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.035 0.445 . . . . 61.43 109.86 175.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -78.23 -38.06 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.878 -0.601 . . . . 72.21 109.841 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -64.53 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.268 0.556 . . . . 62.23 110.141 178.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.59 57.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.554 -0.748 . . . . 75.32 111.222 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.2 tmtm? -59.19 -44.66 92.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 31.2 p80 -76.34 -28.98 57.07 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 120.206 -0.598 . . . . 73.24 111.327 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.05 -43.37 73.75 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.407 0.442 . . . . 63.31 111.754 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -60.66 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 61.23 111.422 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.92 -33.58 51.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 72.22 111.151 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 49' ' ' ILE . 2.3 t80 -64.78 -34.23 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 33.01 110.367 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.27 -38.37 71.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 72.14 110.252 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -75.79 -16.18 60.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.45 -0.796 . . . . 63.44 112.28 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.586 HD11 ' HD2' ' A' ' 57' ' ' PHE . 70.4 mt -75.33 -11.34 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.545 0.212 . . . . 73.44 111.215 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.88 65.7 1.94 Allowed Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.57 . . . . 74.45 112.07 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.81 136.48 23.15 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.011 1.807 . . . . 71.42 111.011 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.9 mm -90.82 -77.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.815 -0.354 . . . . 54.52 111.402 -176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -111.57 48.18 0.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.025 0.44 . . . . 75.14 110.845 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 21.01 79.24 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.761 -0.654 . . . . 51.44 112.962 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.562 -0.375 . . . . 72.0 110.286 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.628 HD12 ' HZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -138.74 171.62 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.174 -0.676 . . . . 73.02 109.174 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -131.87 -164.97 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.693 -0.403 . . . . 53.52 110.787 178.643 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.682 ' H ' HG22 ' A' ' 50' ' ' THR . . . -51.34 -37.13 38.69 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 123.291 0.369 . . . . 74.0 113.699 -175.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.37 -50.29 71.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.205 0.526 . . . . 72.44 111.264 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.483 ' HB3' HD13 ' A' ' 42' ' ' LEU . 3.5 mp0 -66.84 -46.28 75.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 63.25 110.292 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.06 79.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 71.4 111.426 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 79.5 ttt180 -60.04 -47.4 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 62.14 111.184 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 38.3 m-80 -67.56 -31.65 71.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.565 -0.289 . . . . 61.22 111.163 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.586 ' HD2' HD11 ' A' ' 42' ' ' LEU . 50.8 t80 -58.68 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 72.41 111.548 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.734 ' HB2' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -79.33 -24.13 43.0 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.784 -0.766 . . . . 73.54 111.546 -175.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.86 -26.92 63.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.164 0.507 . . . . 75.41 110.003 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -63.69 -40.26 96.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 70.13 109.649 176.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -66.68 -20.05 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.53 . . . . 53.02 111.616 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.4 38.41 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.46 -0.876 . . . . 73.34 113.647 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 68' ' ' LEU . 54.2 mt -101.41 154.46 37.21 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.813 0.307 . . . . 70.15 110.357 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.59 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.4 Cg_exo -58.48 149.41 75.16 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.826 2.351 . . . . 74.01 111.861 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.8 tt0 -59.96 -46.76 98.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.749 0.648 . . . . 73.44 112.749 -174.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 9.8 Cg_endo -54.63 -40.77 82.62 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.916 1.744 . . . . 73.41 111.497 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.851 HG13 ' HE2' ' A' ' 98' ' ' LYS . 50.6 t -62.2 -44.31 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.317 -0.856 . . . . 61.13 110.812 175.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.734 HD22 ' HB2' ' A' ' 58' ' ' PHE . 84.1 mt -63.15 -53.47 52.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.722 -0.672 . . . . 54.11 111.105 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.88 70.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 53.24 110.984 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -69.42 -37.61 77.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.538 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.881 HD13 HG12 ' A' ' 95' ' ' ILE . 26.9 mt -62.84 -38.83 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.9 -0.407 . . . . 64.35 109.9 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.427 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 19.1 t90 -66.66 -45.2 79.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 72.2 110.522 177.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -19.28 65.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.451 0.643 . . . . 71.12 110.46 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.825 HD22 ' HG ' ' A' ' 108' ' ' LEU . 10.8 mt -91.71 -27.2 18.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.229 -0.896 . . . . 74.32 111.771 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.55 -71.53 0.18 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.94 0.4 . . . . 65.35 110.884 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 96.69 6.16 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 107.601 -1.259 . . . . 52.35 107.601 169.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.7 mtm -54.25 -30.12 49.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.238 -1.346 . . . . 42.25 113.046 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -85.3 -1.34 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.038 -0.414 . . . . 73.43 110.195 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 55.07 77.42 0.21 Allowed 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.707 -0.849 . . . . 53.52 108.707 -169.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.12 -23.88 24.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.807 -1.088 . . . . 75.25 109.08 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.427 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 75.81 28.8 60.28 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.455 -0.793 . . . . 41.15 112.932 174.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 83' ' ' MET . 34.1 ptt180 -165.45 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 64.53 110.502 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.517 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 7.1 ptp 58.65 177.39 0.07 Allowed 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.43 -1.259 . . . . 73.33 112.531 174.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -134.09 -176.67 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.771 -0.825 . . . . 70.13 108.771 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -56.04 -29.96 61.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.02 0.378 . . . . 51.1 112.02 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.56 -44.32 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.981 -0.287 . . . . 71.23 110.979 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 19.4 mp0 -68.6 -37.89 80.19 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.417 0.627 . . . . 71.35 110.345 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.28 -34.71 77.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.691 -0.686 . . . . 74.02 110.611 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -76.12 -17.8 59.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.969 -0.56 . . . . 73.11 111.58 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.417 HG13 HD11 ' A' ' 27' ' ' ILE . 12.0 tt -97.31 -40.46 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.768 -0.373 . . . . 72.42 111.407 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -27.48 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 51.43 111.81 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -28.48 68.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 53.33 111.838 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HE2' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -79.0 -29.37 43.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.924 -0.398 . . . . 61.23 109.924 -177.049 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 71' ' ' ILE . 21.3 tp -61.46 -45.67 93.3 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.096 -0.705 . . . . 63.34 109.096 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.881 HG12 HD13 ' A' ' 71' ' ' ILE . 47.8 mt -55.13 -45.31 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.994 -1.003 . . . . 74.15 111.057 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.49 -52.41 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.677 -0.692 . . . . 74.35 111.618 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.84 -26.34 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.938 -0.305 . . . . 72.25 110.864 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.851 ' HE2' HG13 ' A' ' 67' ' ' VAL . 67.4 tttt -64.65 -28.76 69.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.452 . . . . 65.31 109.922 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 95' ' ' ILE . 67.3 mt -60.17 -24.41 64.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.442 -0.799 . . . . 71.22 111.46 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -80.34 -9.19 59.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.47 -0.332 . . . . 73.42 111.096 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.6 54.1 0.41 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 74.51 112.514 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -132.96 168.43 18.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.615 -0.513 . . . . 74.41 109.615 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.81 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 90.9 mt-30 -136.4 -51.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.329 -0.148 . . . . 74.44 111.144 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.497 HD11 ' HH2' ' A' ' 25' ' ' TRP . 7.4 mp 65.75 165.37 0.12 Allowed Pre-proline 0 N--CA 1.469 0.505 0 O-C-N 123.568 0.542 . . . . 75.12 111.543 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.5 Cg_endo -98.38 -164.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.3 2.667 . . . . 73.34 112.938 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.6 m -81.79 6.64 14.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 71.55 111.344 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.44 109.56 20.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.771 -0.65 . . . . 73.24 110.922 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.825 ' HG ' HD22 ' A' ' 74' ' ' LEU . 35.5 mt -74.4 146.26 83.74 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.267 -0.424 . . . . 71.34 110.834 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 13.9 Cg_exo -70.22 152.8 67.09 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.332 2.022 . . . . 54.34 111.53 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.24 -4.91 16.17 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.661 2.241 . . . . 73.34 112.451 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.2 t -83.17 -30.73 8.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.984 -0.553 . . . . 73.02 110.911 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 72.2 mtp -76.42 -38.15 55.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.379 . . . . 74.54 110.483 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.48 -20.95 25.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.102 -0.499 . . . . 74.03 110.461 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.233 0.196 0 CA-C-N 115.585 -0.734 . . . . 64.55 110.791 -177.657 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.855 0.836 . . . . 54.04 109.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.636 ' O ' ' HG3' ' A' ' 112' ' ' MET . 86.0 m95 -89.14 24.44 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.761 -1.109 . . . . 74.4 110.832 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.91 154.44 18.36 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.795 -1.093 . . . . 71.1 109.91 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.3 83.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.319 0.58 . . . . 52.21 109.577 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.548 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.66 -177.16 3.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.092 -0.958 . . . . 54.34 110.886 -177.741 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.548 ' H ' HG22 ' A' ' 28' ' ' THR . 7.2 p -54.71 -47.32 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.53 0.567 . . . . 53.32 112.53 -176.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -48.55 76.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.787 0.327 . . . . 62.33 110.164 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -50.77 70.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.59 -0.732 . . . . 61.0 109.643 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.72 -41.62 95.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.879 . . . . 61.52 111.156 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.01 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.463 0.173 . . . . 72.23 111.318 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -57.56 -25.91 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 63.54 112.023 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -56.32 -35.77 67.94 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 120.773 0.321 . . . . 64.23 110.309 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.95 -50.09 63.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.803 -0.635 . . . . 73.14 110.909 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -62.66 -49.12 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 74.11 110.824 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.24 -34.76 76.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 73.03 111.349 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' HE1' HD12 ' A' ' 49' ' ' ILE . 56.5 t80 -64.18 -40.44 96.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 73.05 110.651 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.85 -38.5 86.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.081 0.467 . . . . 73.03 110.054 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -76.51 -18.08 58.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 63.41 111.474 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -65.12 -17.86 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 72.03 110.771 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? 65.64 72.51 0.45 Allowed Pre-proline 0 C--O 1.234 0.275 0 N-CA-C 108.653 -0.869 . . . . 60.43 108.653 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.71 138.7 87.37 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.594 2.196 . . . . 71.13 112.441 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.75 91.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.365 -0.834 . . . . 74.42 109.155 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 61.21 24.29 14.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.983 -0.553 . . . . 62.03 111.775 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.32 11.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.344 -0.931 . . . . 61.32 113.738 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -130.13 169.6 15.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.55 0.675 . . . . 74.14 111.292 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.717 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.63 -177.42 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.58 -0.526 . . . . 63.35 109.58 177.347 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 t -161.53 177.84 9.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.763 -0.198 . . . . 73.41 110.484 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.64 68.26 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 116.193 -0.458 . . . . 74.45 113.27 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.82 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 73.44 111.289 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 11.0 mm-40 -72.62 -33.51 66.71 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.632 -0.427 . . . . 73.51 110.239 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.73 29.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 73.31 110.737 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -59.3 -40.71 87.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.557 -0.292 . . . . 75.3 111.305 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -66.8 -53.28 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 63.24 111.119 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CG ' HD22 ' A' ' 42' ' ' LEU . 54.5 t80 -65.02 -48.12 75.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.356 -0.384 . . . . 75.24 111.034 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.859 ' HB3' HD22 ' A' ' 68' ' ' LEU . 2.1 m-85 -59.25 -41.91 89.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.37 -0.377 . . . . 64.01 110.528 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.89 -41.2 97.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.193 0.52 . . . . 75.21 110.132 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -74.73 -5.19 41.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.751 -0.659 . . . . 73.3 110.583 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -84.14 -8.04 59.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 75.15 110.666 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.66 5.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.526 -0.845 . . . . 72.11 112.761 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 67' ' ' VAL . 78.0 mt -129.65 143.45 49.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.235 -0.283 . . . . 73.32 110.235 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 66.7 Cg_endo -76.21 163.69 32.29 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.582 2.188 . . . . 75.15 113.014 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -50.91 -52.12 60.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.292 -0.867 . . . . 73.12 112.996 -175.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 53.0 Cg_exo -54.5 -36.3 88.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.104 1.869 . . . . 65.32 112.489 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 63' ' ' LEU . 63.4 t -72.32 -41.82 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.56 178.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.7 mt -61.22 -51.43 69.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 41.23 110.528 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.81 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.213 -0.903 . . . . 62.14 111.219 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.18 -39.96 95.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.39 -0.368 . . . . 63.42 111.005 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD23 ' A' ' 94' ' ' LEU . 97.7 mt -68.59 -44.63 82.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.156 0.503 . . . . 61.35 110.085 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.785 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.5 t90 -63.94 -42.67 97.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.755 . . . . 73.55 111.342 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -12.83 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.845 0.355 . . . . 75.14 111.206 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.894 HD22 ' HG ' ' A' ' 108' ' ' LEU . 22.8 mt -97.34 -38.38 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 63.43 111.993 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -62.98 -69.13 0.28 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.517 -0.311 . . . . 74.44 111.57 -169.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -83.91 95.62 8.56 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 107.645 -1.242 . . . . 74.1 107.645 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.492 ' SD ' ' HE3' ' A' ' 113' ' ' LYS . 48.0 mtm -52.94 -32.55 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.6 -1.182 . . . . 74.33 113.38 -173.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -77.89 -11.87 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.488 0.661 . . . . 74.23 109.704 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 49.17 76.17 0.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.587 -1.188 . . . . 64.23 111.059 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.7 -24.95 16.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.093 -1.412 . . . . 61.13 108.905 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.785 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 92.64 29.93 10.3 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.302 -0.863 . . . . 71.52 112.103 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 82' ' ' ARG . 12.1 ptm85 -125.45 -48.56 1.69 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.854 -0.339 . . . . 71.04 111.799 -175.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.587 ' HA ' ' HB2' ' A' ' 87' ' ' GLU . 12.2 ptp 43.14 74.91 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 65.44 111.455 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.99 -176.73 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.692 -0.855 . . . . 61.35 108.692 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.89 -39.3 53.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.053 0.76 . . . . 74.43 113.053 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.58 -48.6 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 118.023 0.374 . . . . 64.24 110.863 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 83' ' ' MET . 1.8 mp0 -66.12 -30.71 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.229 0.537 . . . . 70.51 110.891 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.99 -28.58 62.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.025 0.44 . . . . 72.42 110.682 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -66.78 -8.0 25.26 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.102 -0.499 . . . . 72.54 112.043 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 87' ' ' GLU . 10.9 tt -110.9 -20.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.086 0.469 . . . . 74.42 110.595 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.2 -36.26 58.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.02 112.278 -173.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -22.23 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.488 -0.324 . . . . 74.45 111.828 -174.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -69.08 -38.9 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 74.13 110.205 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' ILE . 9.0 tp -65.76 -40.86 92.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.088 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.9 mt -57.93 -47.32 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 73.2 109.998 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -55.37 -41.52 72.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.278 -0.874 . . . . 63.11 111.414 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.64 -34.28 19.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 63.42 111.448 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 8.1 mtpm? -71.32 -27.86 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.891 -0.323 . . . . 61.13 111.058 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.94 -12.39 59.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.004 0.43 . . . . 71.41 110.731 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.55 -5.45 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.372 0.606 . . . . 71.22 109.666 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.06 49.52 2.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.894 -0.67 . . . . 33.01 112.085 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.69 161.18 20.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.302 0.572 . . . . 73.12 111.623 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -136.13 150.48 49.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.722 -1.126 . . . . 63.13 109.958 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 22.2 tp -153.59 142.62 14.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 5.1 Cg_exo -81.7 -166.0 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.751 2.3 . . . . 73.42 111.893 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.665 ' HA ' HD21 ' A' ' 74' ' ' LEU . 69.9 m -79.9 14.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.213 0.53 . . . . 73.4 111.458 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.95 90.62 3.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.972 -0.558 . . . . 52.53 110.526 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.894 ' HG ' HD22 ' A' ' 74' ' ' LEU . 26.1 mt -67.65 144.59 97.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.449 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.6 152.31 78.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 121.981 1.787 . . . . 65.22 110.752 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.98 -20.92 72.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.79 2.326 . . . . 65.0 112.782 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.71 -31.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.222 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 25' ' ' TRP . 78.5 mtp -74.42 -44.87 49.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 70.51 110.457 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HE3' ' SD ' ' A' ' 77' ' ' MET . 14.7 ptmt -78.67 -12.78 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.208 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 115.289 -0.869 . . . . 62.04 112.259 168.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.571 HG22 HD11 ' A' ' 97' ' ' LEU . 21.8 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.872 0.368 . . . . 73.14 110.672 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.706 ' HH2' HD11 ' A' ' 104' ' ' LEU . 94.2 m95 -79.92 -21.62 43.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 74.43 111.028 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 134.33 52.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.817 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -81.03 99.22 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.273 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -71.37 166.8 20.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 63.24 110.387 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -50.84 -42.67 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 122.561 0.344 . . . . 74.44 111.488 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -62.69 -44.54 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 75.52 111.132 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 6.3 mm-40 -66.56 -31.67 72.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.209 0.528 . . . . 70.21 110.318 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.98 -47.82 67.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 74.33 110.287 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 62.45 112.222 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.802 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 17.6 ptmt -57.94 -26.69 62.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.662 0.245 . . . . 71.41 111.662 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.1 p-80 -60.08 -35.57 75.47 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.741 0.305 . . . . 71.34 110.302 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.03 -49.32 65.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.91 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.43 -46.21 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 72.13 110.772 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -41.01 89.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.773 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 12.6 t80 -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.971 -0.559 . . . . 61.53 110.27 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.12 -39.19 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.413 -0.812 . . . . 73.1 110.77 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -75.34 -19.02 59.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 63.42 111.617 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 53' ' ' GLN . 2.8 tt -78.13 -2.75 39.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.907 0.384 . . . . 73.22 111.177 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 65.42 74.43 0.38 Allowed Pre-proline 0 N--CA 1.466 0.375 0 CA-C-N 116.021 -0.536 . . . . 73.44 110.305 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.27 155.41 28.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.518 2.145 . . . . 74.53 112.535 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.04 117.74 55.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.537 -0.542 . . . . 74.3 109.537 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 64.12 27.39 14.08 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.635 0.584 . . . . 71.2 110.528 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.19 36.2 89.65 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.869 -0.681 . . . . 70.11 111.894 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -150.38 145.55 26.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.866 0.365 . . . . 72.03 110.411 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.6 pp -114.74 -172.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.976 -0.556 . . . . 75.4 109.837 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -151.81 179.41 8.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.901 -0.407 . . . . 63.22 109.901 177.482 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' THR . . . -57.94 -46.2 92.77 Favored Glycine 0 C--N 1.333 0.383 0 O-C-N 123.296 0.373 . . . . 72.43 113.868 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -60.44 -43.25 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.013 0.406 . . . . 65.02 110.689 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.612 ' HB3' HD21 ' A' ' 42' ' ' LEU . 14.2 mm100 -64.97 -37.86 89.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 61.45 111.168 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.29 70.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 71.32 110.712 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 48.0 mtp85 -59.71 -49.82 76.25 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.789 -0.641 . . . . 74.53 110.561 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -52.16 -45.96 65.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.791 -1.095 . . . . 71.31 111.52 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -61.91 -48.01 82.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 65.01 110.557 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CB ' HD22 ' A' ' 68' ' ' LEU . 12.3 m-30 -61.25 -34.6 75.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.467 . . . . 74.22 110.407 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.78 -36.54 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 64.21 110.31 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -5.02 40.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.201 -0.454 . . . . 65.25 111.42 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m -90.23 -5.4 56.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.067 0.46 . . . . 54.51 110.935 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.05 18.26 44.03 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.913 -0.66 . . . . 73.41 112.752 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.733 HD22 HG11 ' A' ' 67' ' ' VAL . 85.4 mt -107.73 144.9 30.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 122.874 -0.192 . . . . 71.42 110.725 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 72.4 Cg_endo -77.3 163.94 29.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.963 2.442 . . . . 63.53 113.227 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 83.6 mm-40 -48.41 -52.81 40.24 Favored Pre-proline 0 N--CA 1.472 0.666 0 N-CA-C 113.353 0.871 . . . . 75.23 113.353 -175.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.9 Cg_exo -54.47 -36.67 88.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.182 1.921 . . . . 42.34 112.255 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 63' ' ' LEU . 54.1 t -72.71 -39.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.69 . . . . 73.23 110.472 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 24.1 mt -62.04 -54.6 39.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.932 -0.576 . . . . 73.31 110.347 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.31 75.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.128 -0.942 . . . . 61.24 110.928 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -68.11 -31.31 70.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.429 -0.35 . . . . 73.33 111.458 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.33 -47.29 60.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.874 -0.417 . . . . 71.21 109.874 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.456 ' HD1' ' HE3' ' A' ' 83' ' ' MET . 19.3 t90 -58.66 -57.08 14.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.61 -0.723 . . . . 71.42 110.658 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.85 57.75 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.563 0.539 . . . . 73.13 112.037 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.51 HD13 HD21 ' A' ' 94' ' ' LEU . 3.9 mt -86.76 -39.31 16.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.637 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -64.6 -52.88 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.895 -0.593 . . . . 60.35 111.487 -173.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -85.68 93.71 8.91 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.895 0.855 . . . . 51.24 108.703 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 ptp -59.49 -30.82 68.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.817 -1.083 . . . . 74.41 112.052 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -82.49 -7.63 59.63 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.723 -0.671 . . . . 63.21 110.492 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.9 t30 49.47 75.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.22 -0.9 . . . . 63.42 110.175 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.501 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 34.1 t70 -77.39 -32.61 54.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.917 -1.038 . . . . 70.42 109.835 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.09 -5.24 85.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.807 -0.711 . . . . 74.43 112.196 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 43.9 mtm180 -119.7 -46.5 2.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.239 -0.282 . . . . 74.44 110.239 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.75 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 44.6 ttm 70.43 115.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.371 1.044 . . . . 75.54 112.144 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.8 -174.69 3.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.484 -0.78 . . . . 65.31 109.084 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.36 -25.38 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.634 0.235 . . . . 73.42 111.634 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.433 ' HB ' ' OE1' ' A' ' 87' ' ' GLU . 58.7 t -67.91 -57.04 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.727 0.299 . . . . 61.15 110.323 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.75 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 1.6 mp0 -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 63.55 110.227 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HZ ' HD13 ' A' ' 42' ' ' LEU . 23.5 t80 -68.86 -28.9 67.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.905 -0.589 . . . . 62.23 110.466 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.1 m -68.99 -46.8 67.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.82 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.57 -29.71 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 72.13 110.633 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -65.46 -35.1 79.9 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.163 -0.472 . . . . 72.21 111.108 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.11 -15.05 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.965 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HG3' ' OE2' ' A' ' 31' ' ' GLU . 64.6 tttp -91.03 -34.12 15.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.454 -0.498 . . . . 73.5 110.162 176.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.51 HD21 HD13 ' A' ' 74' ' ' LEU . 1.1 mp -57.35 -35.79 70.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.357 -0.383 . . . . 63.24 111.645 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 58' ' ' PHE . 37.8 mt -57.42 -39.81 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 32.44 110.88 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 96' ' ' LYS . 49.7 mmtt -67.12 -43.69 81.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.274 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD11 HG22 ' A' ' 24' ' ' THR . 3.6 mm? -69.02 -37.2 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 54.53 110.129 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.567 ' HE2' HG13 ' A' ' 67' ' ' VAL . 16.8 tptt -61.96 -49.28 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.592 -0.731 . . . . 55.33 110.715 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.3 mt -67.64 -25.69 65.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.419 -0.81 . . . . 74.01 112.341 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.94 0.28 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.562 0.578 . . . . 74.31 112.562 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 135.98 -14.87 4.06 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 119.326 -1.416 . . . . 75.35 114.396 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 94.4 m-85 -87.91 159.54 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.485 0.642 . . . . 74.11 110.493 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -137.63 -34.15 0.7 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.013 -0.54 . . . . 64.34 110.809 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.706 HD11 ' HH2' ' A' ' 25' ' ' TRP . 6.5 mp 66.34 156.08 0.13 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-O 121.443 0.639 . . . . 71.21 112.584 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 8.4 Cg_endo -88.42 -163.23 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.478 2.785 . . . . 74.25 110.915 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -77.53 -0.75 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.219 0.533 . . . . 73.02 110.737 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.65 117.37 26.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.813 -0.63 . . . . 74.05 110.803 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HB3' HD22 ' A' ' 74' ' ' LEU . 2.9 pp -91.4 160.96 35.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 70.31 111.085 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 32.1 Cg_exo -59.93 152.41 64.6 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.709 2.273 . . . . 61.43 113.017 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 17.2 Cg_exo -68.47 -15.26 41.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.977 2.452 . . . . 71.53 112.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.52 -19.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 43.22 110.734 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.3 mtt -93.96 -47.58 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 72.35 111.361 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 12.2 ptmt -67.27 -38.94 85.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 73.3 110.554 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 113.715 1.006 . . . . 63.22 113.715 170.353 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 111.791 0.293 . . . . 75.01 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -92.59 10.54 29.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.506 0.67 . . . . 73.52 111.288 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.56 174.56 6.32 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.861 -1.063 . . . . 75.31 109.313 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 mm -103.96 102.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.516 0.674 . . . . 72.43 110.921 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -81.52 159.28 24.2 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.901 -1.045 . . . . 71.23 109.733 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 26.3 t -58.4 -22.97 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 43.01 110.228 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 44.5 tt0 -75.26 -43.86 49.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 74.43 109.677 172.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.89 -41.07 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.513 -0.312 . . . . 74.4 111.545 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 11.7 ptm180 -61.37 -37.51 83.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 72.03 110.237 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.12 -38.67 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.607 -0.724 . . . . 71.15 111.17 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 1.1 tmtm? -56.31 -41.7 76.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 54.31 110.886 -177.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 93' ' ' LYS . 46.8 m170 -64.1 -34.0 77.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 53.21 111.966 -174.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.5 -42.11 79.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.621 0.248 . . . . 64.32 110.743 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.46 -35.84 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 60.21 110.492 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -73.36 -50.94 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 72.23 110.004 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' HA ' HD23 ' A' ' 42' ' ' LEU . 24.8 t80 -60.09 -33.14 71.68 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.713 -0.676 . . . . 63.35 111.51 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -35.98 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.916 -0.584 . . . . 75.5 110.913 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -76.63 -17.23 59.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 34.35 112.306 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 39' ' ' PHE . 4.4 mm? -68.5 -7.53 33.06 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 64.33 112.208 -176.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mttt 64.04 62.4 1.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.434 -0.803 . . . . 73.03 110.86 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 15.7 Cg_exo -64.16 131.8 31.75 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.881 1.721 . . . . 73.3 111.464 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 tt -68.27 -36.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 64.3 110.792 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -152.77 -60.33 0.15 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.888 -0.782 . . . . 62.45 108.888 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 19.68 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.432 -0.804 . . . . 74.25 111.43 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 35.5 p90 -153.76 167.62 29.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.716 0.293 . . . . 64.21 111.036 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.12 -164.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.445 -0.798 . . . . 64.51 109.268 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 51' ' ' GLY . 2.2 m -140.6 171.09 14.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.056 -0.349 . . . . 74.32 110.056 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.583 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -52.66 -41.78 57.63 Favored Glycine 0 C--N 1.337 0.584 0 O-C-N 123.254 0.346 . . . . 51.0 112.696 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.67 -46.65 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 71.02 110.797 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.62 -40.01 86.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.865 -0.607 . . . . 70.04 110.614 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.45 46.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 35.1 110.959 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 23.6 mtt180 -59.76 -41.77 91.77 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.275 -0.421 . . . . 73.33 110.48 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -54.86 -46.93 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.545 -0.752 . . . . 63.51 110.967 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.94 -44.68 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 73.14 110.969 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 68' ' ' LEU . 9.8 m-30 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.012 0.434 . . . . 71.53 110.226 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -65.25 -40.94 94.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 73.42 110.501 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.86 -23.6 67.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.75 -0.659 . . . . 72.43 110.841 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.59 ' HB3' HD11 ' A' ' 99' ' ' LEU . 50.4 m -80.5 -7.69 59.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 45.43 111.199 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.36 4.32 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.658 -0.782 . . . . 54.11 112.787 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.667 HD22 HG11 ' A' ' 67' ' ' VAL . 87.2 mt -123.53 143.82 42.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.629 0.252 . . . . 64.43 110.397 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.4 Cg_exo -72.05 160.11 48.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.39 2.727 . . . . 75.11 112.327 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.621 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mp0 -56.22 -46.7 99.76 Favored Pre-proline 0 N--CA 1.469 0.501 0 N-CA-C 113.41 0.893 . . . . 73.45 113.41 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 50.8 Cg_exo -55.61 -30.04 73.04 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.928 1.752 . . . . 74.24 112.046 175.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG11 HD22 ' A' ' 63' ' ' LEU . 93.9 t -80.19 -33.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.796 -0.638 . . . . 73.42 110.23 178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 58' ' ' PHE . 15.6 mt -63.29 -52.59 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.504 0.669 . . . . 71.35 109.669 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.03 69.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.004 -0.998 . . . . 72.52 110.895 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -62.21 -40.03 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.145 0.498 . . . . 64.45 109.871 177.444 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.565 ' HA ' HD23 ' A' ' 94' ' ' LEU . 33.6 mt -70.2 -46.67 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.606 . . . . 64.51 110.305 176.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -66.33 -38.03 86.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 73.21 111.534 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -29.2 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.261 0.553 . . . . 71.54 110.443 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 105' ' ' PRO . 27.2 mt -82.77 -41.81 18.73 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.443 -0.798 . . . . 74.13 110.868 176.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -65.46 -48.31 73.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.591 -0.731 . . . . 62.41 112.289 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 35.6 t0 -75.7 73.79 2.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.54 0.686 . . . . 63.11 109.827 -176.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -67.68 -41.09 84.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 114.955 -1.02 . . . . 65.33 111.9 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -83.99 -10.08 58.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.451 -0.574 . . . . 71.21 109.451 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.621 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.1 t-20 52.7 70.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.628 -1.169 . . . . 70.34 110.715 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 8.6 t70 -96.15 -25.09 15.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.081 -0.963 . . . . 73.32 109.585 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.15 -23.63 23.11 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.896 -0.669 . . . . 64.03 112.039 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -115.17 -39.45 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.523 -0.547 . . . . 72.25 109.523 175.809 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 82' ' ' ARG . 3.7 ptp 64.09 173.01 0.18 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.748 1.28 . . . . 73.3 111.073 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -134.17 -175.68 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.39 -0.596 . . . . 72.21 109.39 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 27.6 mm-40 -59.39 -19.88 50.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.78 1.03 . . . . 64.03 113.78 -171.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.48 -56.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.773 -0.454 . . . . 74.12 109.773 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.601 ' O ' HG22 ' A' ' 90' ' ' ILE . 7.1 mp0 -65.17 -36.17 83.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.671 -0.695 . . . . 62.21 111.094 176.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CZ ' ' HG ' ' A' ' 42' ' ' LEU . 37.4 t80 -72.75 -28.07 62.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.425 -0.352 . . . . 74.24 111.551 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -55.6 -38.52 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 74.51 111.067 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 87' ' ' GLU . 18.4 tt -74.6 -22.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.011 0.434 . . . . 74.43 111.064 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -75.9 -32.48 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 71.02 111.471 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.563 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 10.6 mmt -69.9 -8.66 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.513 0.56 . . . . 72.44 112.513 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HE2' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -105.15 -15.11 15.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 70.02 110.628 178.287 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 71' ' ' ILE . 11.9 tp -77.43 -31.52 54.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.139 0.495 . . . . 43.01 109.775 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 71' ' ' ILE . 17.1 mm -54.15 -49.21 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.042 -0.981 . . . . 72.15 109.956 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -55.23 -50.96 68.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.347 -0.842 . . . . 75.33 111.016 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.501 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 32.4 tp -68.63 -44.51 74.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 72.4 111.404 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.64 ' HE3' HG13 ' A' ' 67' ' ' VAL . 28.3 mtpp -71.97 -28.67 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.922 -0.311 . . . . 72.41 111.447 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 61' ' ' SER . 25.6 mt -68.94 -16.16 63.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.598 0.237 . . . . 75.14 110.941 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -91.57 -4.74 55.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 73.13 110.394 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.62 53.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.972 -0.633 . . . . 72.51 113.016 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.501 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 96.5 m-85 -133.76 160.51 37.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.102 0.477 . . . . 70.12 111.025 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -154.39 151.62 29.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.783 -0.644 . . . . 61.34 110.342 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.4 tp -150.09 144.89 18.03 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.422 -0.584 . . . . 74.54 109.422 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.608 ' O ' HD21 ' A' ' 74' ' ' LEU . 52.0 Cg_exo -55.08 166.39 2.24 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.602 2.201 . . . . 60.41 112.507 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 p -73.71 0.68 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.083 0.468 . . . . 63.42 112.042 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.58 21.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.64 -0.709 . . . . 65.33 110.683 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 108' ' ' LEU . 3.4 mm? -75.25 144.14 77.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.651 0.262 . . . . 73.13 110.769 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' A' ' 112' ' ' MET . 35.5 Cg_endo -67.12 153.43 77.62 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.18 1.92 . . . . 71.23 111.316 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.37 -15.63 46.03 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.494 2.129 . . . . 70.03 112.419 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.37 -37.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 63.04 111.007 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.59 ' HE2' HG13 ' A' ' 90' ' ' ILE . 57.5 mmm -60.61 -44.24 96.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.354 0.597 . . . . 53.4 111.29 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -90.16 -17.29 27.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.555 -0.748 . . . . 72.33 110.125 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 . . . . . 0 C--O 1.238 0.489 0 CA-C-N 115.162 -0.927 . . . . 75.44 110.906 -173.723 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 112.206 0.447 . . . . 71.5 112.206 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.448 ' HB3' ' CG ' ' A' ' 112' ' ' MET . 37.7 m95 -89.06 -17.11 29.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.369 -0.378 . . . . 70.01 111.618 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.52 125.79 24.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.655 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 90' ' ' ILE . 79.1 mt -93.49 108.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.155 0.502 . . . . 73.35 110.821 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 31' ' ' GLU . 2.8 m -77.35 168.32 20.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.532 -0.758 . . . . 71.4 110.069 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.16 -27.85 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 72.31 110.355 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.61 -53.4 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.571 . . . . 74.23 110.397 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HG2' ' HE3' ' A' ' 93' ' ' LYS . 2.0 mp0 -59.3 -35.73 74.31 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.733 0.301 . . . . 72.23 110.652 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -62.54 -44.07 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.306 -0.406 . . . . 75.12 110.367 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.6 66.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.113 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 21.0 mmtp -61.1 -25.87 67.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.054 0.761 . . . . 75.2 113.054 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 8.1 p-80 -55.8 -36.06 67.01 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.933 -0.395 . . . . 75.4 109.933 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.84 -48.55 76.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.723 -0.671 . . . . 74.11 111.487 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.52 -50.31 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 75.4 110.537 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.1 -32.76 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 64.34 111.086 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 10.5 t80 -70.91 -36.84 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.29 0.567 . . . . 73.21 109.936 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.506 -0.77 . . . . 63.24 110.386 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -72.01 -21.34 61.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.392 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -72.86 -15.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.41 109.916 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 63.18 71.66 0.63 Allowed Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.41 -0.814 . . . . 53.02 110.849 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.17 156.96 63.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.832 2.354 . . . . 75.22 111.875 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.3 mp -75.69 -63.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.022 0.439 . . . . 71.42 110.117 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -120.72 27.33 8.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.482 0.658 . . . . 62.12 110.444 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 2.16 64.29 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.767 -0.73 . . . . 54.44 111.305 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.77 163.25 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.941 0.4 . . . . 54.41 110.131 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.507 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 45.1 pt -135.95 -166.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 74.2 109.316 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -148.8 175.52 11.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.851 -0.426 . . . . 73.05 109.851 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.22 95.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.506 -0.378 . . . . 61.0 113.707 -172.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 37.1 t70 -62.98 -35.17 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.41 . . . . 72.11 111.271 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.4 -34.0 58.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.968 0.413 . . . . 72.24 110.515 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.83 77.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 62.31 111.722 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 17.0 ptt180 -60.73 -33.17 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.736 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.6 -40.79 93.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.882 0.372 . . . . 75.33 110.999 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.527 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . 61.8 t80 -64.41 -49.26 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.931 0.396 . . . . 72.41 110.845 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HB2' HD22 ' A' ' 68' ' ' LEU . 13.5 m-85 -66.24 -33.86 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 74.45 110.672 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 68' ' ' LEU . 57.3 t80 -65.6 -31.3 72.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.587 . . . . 74.12 109.8 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -11.93 60.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.584 -0.734 . . . . 55.2 110.193 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 m -84.75 -7.18 59.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 63.44 110.9 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.49 7.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 54.02 112.516 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 60.7 mt -117.25 144.52 34.0 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.599 0.238 . . . . 74.2 110.548 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 15.9 Cg_exo -68.27 152.67 75.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.017 2.478 . . . . 75.04 112.38 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.545 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.9 mp0 -54.44 -48.8 93.82 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.879 0.696 . . . . 65.35 112.879 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.1 Cg_exo -56.28 -30.19 79.47 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.86 1.706 . . . . 72.32 112.378 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 71' ' ' ILE . 57.7 t -81.05 -39.25 17.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 75.14 110.279 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 80.8 mt -55.25 -49.37 72.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 75.44 110.562 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.78 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.045 -0.98 . . . . 44.42 111.118 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -73.24 -41.0 64.21 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.419 -0.355 . . . . 75.34 110.738 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.719 HG21 HD11 ' A' ' 95' ' ' ILE . 2.3 mt -65.66 -46.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 64.4 110.718 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.657 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 23.4 t90 -62.8 -43.97 97.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.058 -0.519 . . . . 61.01 110.731 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.8 -12.55 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.435 . . . . 70.21 111.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.014 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.8 mt -95.55 -33.73 12.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.904 -0.589 . . . . 33.45 111.723 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.73 -70.65 0.22 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.381 -0.372 . . . . 71.44 110.663 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.773 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 9.5 p-10 -84.94 91.08 7.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.797 0.808 . . . . 75.23 109.153 174.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.7 mtm -55.06 -28.7 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.46 -1.245 . . . . 73.54 111.918 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -72.11 -12.5 61.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 75.12 110.625 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 52.62 66.25 1.28 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.764 -0.653 . . . . 73.13 109.417 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.57 -25.35 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.508 -0.769 . . . . 74.21 109.232 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.657 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 87.29 29.05 23.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.308 -0.86 . . . . 64.53 112.252 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -135.3 -40.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.536 0.198 . . . . 65.31 111.536 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 ttm 58.57 91.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.935 0.772 . . . . 72.1 110.811 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' H ' ' A' ' 85' ' ' GLN . 2.3 m-20 -82.64 -166.25 1.25 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.421 0.629 . . . . 60.2 110.987 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 13.1 mm100 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.407 -0.815 . . . . 64.11 112.645 -169.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.49 -36.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.097 -0.641 . . . . 73.31 110.441 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.773 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 3.3 mp0 -68.05 -41.53 81.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.439 . . . . 64.52 110.507 176.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD2' ' HD2' ' A' ' 39' ' ' PHE . 54.0 t80 -65.35 -30.45 71.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.757 0.313 . . . . 62.55 110.526 175.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.6 m -64.48 -43.65 93.48 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.046 0.45 . . . . 72.51 110.868 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 27' ' ' ILE . 16.8 tt -71.43 -19.58 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.046 -0.525 . . . . 75.43 110.957 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.47 -14.73 60.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 64.41 111.679 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.4 tpt -57.78 -41.5 82.16 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.014 0.435 . . . . 72.34 110.994 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 31' ' ' GLU . 28.3 mmtp -80.18 -26.05 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 74.44 111.225 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 71' ' ' ILE . 31.9 tp -73.47 -52.47 13.55 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.442 -0.345 . . . . 74.22 111.435 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.719 HD11 HG21 ' A' ' 71' ' ' ILE . 50.4 mm -56.94 -41.43 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.115 -0.493 . . . . 75.54 111.035 -177.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 52.3 tttp -62.12 -47.67 83.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 74.33 110.549 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 97' ' ' LEU . 4.4 mm? -71.45 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 73.52 111.64 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' HD11 ' A' ' 71' ' ' ILE . 18.5 mmtm -71.63 -36.34 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.395 . . . . 61.43 110.434 175.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.29 -11.46 59.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 71.51 110.682 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 16.0 mm100 -85.67 -11.64 53.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 70.4 111.022 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.71 -8.06 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.652 -0.785 . . . . 54.21 113.386 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -82.8 150.23 26.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.764 0.792 . . . . 75.44 111.173 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.59 167.18 14.27 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.883 -1.053 . . . . 75.2 110.235 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.8 mt -151.97 154.22 32.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.265 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.483 ' O ' HD21 ' A' ' 74' ' ' LEU . 2.8 Cg_exo -76.72 -163.61 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.43 2.753 . . . . 63.43 111.732 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.2 m -83.43 9.59 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 64.23 111.375 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.06 116.64 23.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.956 -0.565 . . . . 74.15 111.047 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 1.014 ' HG ' HD22 ' A' ' 74' ' ' LEU . 64.5 mt -83.65 146.21 49.34 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.243 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 18.9 Cg_endo -60.67 153.59 60.86 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.613 2.209 . . . . 71.33 112.086 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.709 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 25.8 Cg_exo -64.42 -9.23 19.42 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.168 2.578 . . . . 33.21 112.917 -178.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.9 t -80.02 -36.43 16.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 62.02 111.054 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.451 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 80.6 mtp -74.71 -51.41 14.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.202 0.525 . . . . 65.12 110.469 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.709 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -76.7 -14.91 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 72.12 111.079 -177.766 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 C--O 1.236 0.35 0 CA-C-N 115.339 -0.846 . . . . 74.45 112.834 173.452 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.958 0.409 . . . . 63.4 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -94.35 1.33 55.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 74.33 111.567 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.02 175.3 6.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.102 -0.499 . . . . 73.52 111.084 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -95.23 118.3 41.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 75.22 109.758 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -109.14 179.27 4.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 54.13 110.459 -177.119 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.502 ' H ' HG22 ' A' ' 28' ' ' THR . 45.1 t -61.15 -29.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.25 -0.648 . . . . 73.2 109.25 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.85 -59.18 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 72.45 110.506 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 93' ' ' LYS . 19.5 mp0 -54.17 -46.16 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.542 . . . . 70.12 110.473 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.35 -38.07 89.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.346 -0.843 . . . . 71.43 111.05 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -43.1 60.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 43.12 111.046 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 46.1 mmtm -67.26 -32.19 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.439 . . . . 73.13 110.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 34.8 t-80 -57.99 -55.35 36.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.092 -0.958 . . . . 74.22 110.758 173.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -55.33 6.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.443 -0.799 . . . . 63.4 112.901 -170.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -63.89 -42.81 97.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.482 0.549 . . . . 75.03 112.482 -172.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.2 mt-30 -73.95 -38.64 64.18 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.708 -0.397 . . . . 73.1 110.983 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 6.0 t80 -63.17 -41.77 99.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.72 -0.474 . . . . 72.33 109.72 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -60.79 -32.05 71.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.524 -0.762 . . . . 64.21 110.487 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -76.31 -22.32 55.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.634 . . . . 44.44 111.644 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HD1' ' A' ' 57' ' ' PHE . 97.8 mt -79.37 -10.43 59.81 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.7 0.286 . . . . 64.53 110.754 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 8.5 mtmp? 66.33 74.13 0.37 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.562 -0.744 . . . . 75.44 110.379 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 18.6 Cg_endo -60.43 139.91 88.87 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.719 2.279 . . . . 64.03 111.6 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.39 -75.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.782 0.325 . . . . 74.21 110.368 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -113.93 32.68 5.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.311 0.577 . . . . 54.25 110.744 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.85 -9.14 55.05 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.769 -0.729 . . . . 75.34 111.961 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.1 167.68 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.817 0.341 . . . . 71.44 110.294 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 53' ' ' GLN . 30.1 pt -118.23 -172.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.949 -0.76 . . . . 75.04 108.949 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.2 m -131.19 -174.11 3.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.99 -0.374 . . . . 74.05 109.99 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.712 ' H ' HG22 ' A' ' 50' ' ' THR . . . -53.05 -36.05 50.65 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 114.227 0.451 . . . . 64.35 114.227 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.36 -45.31 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.948 0.374 . . . . 74.03 111.013 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.587 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 13.1 mm-40 -74.28 -29.03 61.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.408 -0.36 . . . . 74.15 110.56 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.144 0.497 . . . . 74.0 109.944 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HD2' ' HE1' ' A' ' 58' ' ' PHE . 14.1 tpt180 -56.85 -50.47 72.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.839 . . . . 54.11 110.495 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -59.81 -37.74 80.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.631 -0.713 . . . . 53.15 111.099 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 42' ' ' LEU . 74.7 t80 -55.07 -52.68 62.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 72.55 112.127 -176.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' HE1' ' HD2' ' A' ' 55' ' ' ARG . 2.9 p90 -86.99 -20.71 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.046 -0.662 . . . . 75.51 111.831 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -66.61 -37.63 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 74.2 110.908 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 57' ' ' PHE . 29.6 pt20 -69.2 -9.2 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.382 -0.372 . . . . 53.35 111.683 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 t -80.35 -18.48 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 42.5 110.82 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.06 24.15 38.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 71.31 112.958 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG23 ' A' ' 95' ' ' ILE . 23.8 mt -91.96 150.39 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.784 0.292 . . . . 75.42 110.313 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.501 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.7 Cg_exo -57.84 149.52 68.88 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.913 2.409 . . . . 65.44 112.873 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.1 mp0 -53.94 -50.64 82.92 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.392 -0.822 . . . . 72.12 112.591 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 41.5 Cg_exo -57.85 -36.9 98.01 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.927 1.751 . . . . 52.05 112.236 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.702 HG13 ' HD3' ' A' ' 98' ' ' LYS . 95.6 t -66.97 -41.55 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 63.24 110.267 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 79.9 mt -62.67 -47.68 82.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 74.41 110.484 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.12 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.395 -0.82 . . . . 51.32 111.164 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 5.5 mm-40 -67.02 -41.21 87.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 55.14 111.233 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 95' ' ' ILE . 52.5 mt -62.05 -44.65 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 62.13 110.813 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.558 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.3 t90 -67.52 -47.62 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 73.21 110.819 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.08 -27.8 69.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.144 0.497 . . . . 73.53 110.966 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -76.69 -32.68 58.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.67 . . . . 64.21 111.111 176.162 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -62.93 -64.89 0.78 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.021 -0.536 . . . . 61.32 111.958 -172.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 4.7 p30 -85.84 99.85 11.66 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.946 0.879 . . . . 73.15 109.783 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.412 ' HG3' HD12 ' A' ' 108' ' ' LEU . 55.0 mtm -47.56 -30.07 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.305 -1.316 . . . . 71.54 112.805 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -90.19 -10.41 44.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.661 0.267 . . . . 75.24 110.941 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 58.87 75.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.815 -1.18 . . . . 65.52 107.815 -166.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.595 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 28.4 t70 -84.22 -38.73 20.18 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.922 -1.036 . . . . 72.14 109.349 -174.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.558 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.54 -4.75 82.44 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.603 -0.726 . . . . 64.02 112.607 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -108.12 -42.14 4.73 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.009 -0.277 . . . . 73.24 111.064 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.1 ttm 62.55 94.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.377 -0.828 . . . . 70.4 111.652 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -85.07 177.7 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.744 -0.836 . . . . 73.43 108.744 172.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -50.62 -34.81 27.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.398 0.518 . . . . 74.4 112.398 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.45 -57.09 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.998 -0.281 . . . . 72.13 110.788 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 1.9 mp0 -61.81 -33.31 73.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.275 0.559 . . . . 73.55 110.306 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.56 -46.01 84.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.429 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.0 m -65.42 -26.66 68.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.791 -0.64 . . . . 50.01 111.623 -175.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 108' ' ' LEU . 12.5 tt -92.68 -6.6 10.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 74.31 111.075 -176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -108.56 -28.94 9.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 53.34 111.422 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 35' ' ' HIS . 26.6 ptt? -56.61 -35.87 68.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 65.2 112.68 -173.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HB3' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -97.82 -5.64 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.265 -0.574 . . . . 71.4 111.433 -177.801 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 71' ' ' ILE . 21.4 tp -64.92 -36.43 84.34 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.848 -0.797 . . . . 74.54 108.848 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 71' ' ' ILE . 36.8 mt -54.52 -42.62 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.149 -1.387 . . . . 74.53 110.65 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.03 -44.15 97.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 75.22 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.56 -26.7 64.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 75.32 111.247 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.702 ' HD3' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -75.37 -34.0 61.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.499 -0.319 . . . . 64.05 110.315 176.322 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.51 -29.3 66.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.623 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.05 -11.35 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 64.22 111.537 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.09 40.55 16.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.832 -0.699 . . . . 62.4 112.765 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -96.42 178.07 5.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.032 -0.358 . . . . 75.51 110.032 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 97.2 mt-30 -61.67 159.76 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.472 0.653 . . . . 71.33 112.006 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -113.86 86.18 10.69 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 71.43 110.125 175.707 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 103' ' ' GLN . 4.8 Cg_exo -74.07 177.3 8.38 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.983 2.455 . . . . 50.23 112.936 -174.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 p -122.96 -1.03 8.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.568 0.699 . . . . 71.13 110.493 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -120.98 143.12 49.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.955 -1.02 . . . . 53.45 110.344 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.847 HD13 HD13 ' A' ' 90' ' ' ILE . 87.9 mt -87.16 147.74 43.29 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 63.23 111.006 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 9.3 Cg_exo -72.17 151.99 55.72 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.531 2.154 . . . . 71.22 111.835 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 7.6 Cg_exo -74.34 -11.79 22.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.947 2.431 . . . . 74.21 112.687 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 t -82.91 -31.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.71 -0.677 . . . . 63.33 111.371 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 90' ' ' ILE . 47.9 mtp -75.06 -29.27 60.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.922 0.391 . . . . 64.12 110.986 -177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -82.06 -16.25 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.442 -0.577 . . . . 75.12 109.442 174.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.235 0.34 0 CA-C-N 115.155 -0.93 . . . . 75.32 112.125 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.341 0.591 . . . . 74.32 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.46 -16.03 53.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.693 -0.685 . . . . 74.25 110.259 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.23 162.72 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 64.11 110.875 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.5 mt -97.46 83.93 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.397 0.618 . . . . 61.21 110.563 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -67.94 163.85 21.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.49 -0.777 . . . . 72.4 109.193 174.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 13.2 p -55.37 -35.02 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.139 0.495 . . . . 54.43 110.719 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.78 -38.67 89.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.706 -0.679 . . . . 73.41 110.712 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 15.3 mm-40 -73.64 -30.46 62.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 43.23 110.617 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -57.03 -47.79 80.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.349 -0.611 . . . . 74.02 109.349 170.384 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -16.25 47.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.546 -0.752 . . . . 63.01 112.237 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 30.0 mmtm -60.42 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.734 0.302 . . . . 65.53 110.92 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 12.0 p-80 -76.87 -29.13 55.67 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.68 -0.408 . . . . 71.4 111.654 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.46 -44.46 71.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.75 0.31 . . . . 51.23 110.594 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -77.01 -54.85 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.14 111.86 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.89 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.967 0.358 . . . . 52.13 111.967 -174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' HE1' HG23 ' A' ' 49' ' ' ILE . 17.1 t80 -64.01 -37.91 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.213 0.53 . . . . 64.12 110.268 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.87 -35.11 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.767 -0.651 . . . . 64.32 110.051 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 24.3 t -75.92 -18.85 59.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.998 -0.546 . . . . 75.43 111.35 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -83.0 4.03 27.65 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.682 0.277 . . . . 73.43 111.025 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 41' ' ' SER . 12.0 mptt 57.63 77.65 0.4 Allowed Pre-proline 0 N--CA 1.463 0.214 0 CA-C-N 116.035 -0.53 . . . . 71.53 111.081 -177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 39.5 Cg_endo -71.91 137.67 29.91 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.008 1.805 . . . . 62.34 111.654 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.5 mm -93.79 110.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.025 -0.731 . . . . 54.53 109.025 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 68.65 -74.08 0.08 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.95 0.781 . . . . 72.22 110.609 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.63 31.66 0.17 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.261 -0.736 . . . . 64.1 111.261 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 38.5 p90 -152.58 173.79 14.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.869 0.366 . . . . 63.1 111.042 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 39' ' ' PHE . 22.0 pt -136.59 -169.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 55.5 109.711 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.5 t -147.85 167.88 23.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.998 -0.371 . . . . 73.42 109.998 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.92 -35.6 64.17 Favored Glycine 0 C--N 1.333 0.369 0 O-C-N 123.554 0.534 . . . . 60.3 112.521 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.22 -52.91 63.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.752 0.31 . . . . 65.44 111.293 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -64.15 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 55.21 110.543 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -55.5 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.574 . . . . 72.14 110.777 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -63.91 -33.99 76.94 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.517 -0.31 . . . . 74.34 111.017 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 25.7 t-20 -64.47 -49.56 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 64.22 110.566 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB2' HD21 ' A' ' 42' ' ' LEU . 61.8 t80 -62.55 -48.0 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 72.23 110.91 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.4 m-30 -57.48 -47.52 81.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 62.21 110.654 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -65.08 -32.18 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 61.34 110.996 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.9 -27.63 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 71.05 111.662 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.769 ' HB2' HD11 ' A' ' 99' ' ' LEU . 96.5 p -73.35 -24.2 60.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.99 0.424 . . . . 71.44 110.827 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.15 -1.18 20.97 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.942 -0.647 . . . . 74.31 112.416 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 67' ' ' VAL . 95.9 mt -80.78 142.6 52.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.588 0.232 . . . . 75.35 110.392 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 4.4 Cg_exo -83.22 169.59 12.63 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.485 2.79 . . . . 72.41 112.856 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.528 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.2 mp0 -48.86 -50.48 61.27 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 113.343 0.868 . . . . 72.04 113.343 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 52.4 Cg_exo -57.38 -16.99 25.0 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.396 2.064 . . . . 72.13 113.297 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 63' ' ' LEU . 44.5 t -98.3 -35.55 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 72.43 110.473 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 58' ' ' PHE . 27.2 mt -62.16 -56.49 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.647 . . . . 70.43 110.722 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.26 71.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.538 -0.756 . . . . 73.44 110.491 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -66.1 -39.49 90.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.896 -0.593 . . . . 74.35 110.882 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.1 mt -70.01 -44.17 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 62.43 110.154 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.49 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 24.2 t90 -62.37 -49.54 75.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 74.51 111.074 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.03 69.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 64.22 111.193 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -73.85 -47.68 36.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 74.52 111.04 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -82.59 -30.15 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 64.32 112.467 -172.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 79' ' ' ASN . 41.0 t0 -77.31 85.85 3.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.563 -0.532 . . . . 73.43 109.563 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -51.43 -53.16 39.74 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.29 0.848 . . . . 65.34 113.29 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -91.85 -6.76 51.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 75.41 110.575 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.608 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 66.7 t30 54.9 71.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 62.43 109.8 -173.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 3.8 t70 -78.38 -26.4 46.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.414 -1.266 . . . . 70.22 110.003 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.49 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 98.72 -23.09 37.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.657 -0.782 . . . . 63.44 111.44 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -111.56 -29.2 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.253 -0.647 . . . . 74.41 109.253 175.006 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.8 ttp 69.48 107.98 0.06 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.511 1.132 . . . . 74.12 110.671 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.5 t70 -67.37 160.87 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 70.21 110.416 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 18.9 mm-40 -60.1 -28.7 68.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.052 -0.522 . . . . 64.24 112.175 -172.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 89' ' ' SER . 61.8 t -70.24 -48.3 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.343 . . . . 52.21 110.272 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 mp0 -63.04 -41.18 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 73.43 110.33 175.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.83 -28.98 69.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.769 -0.65 . . . . 73.31 111.13 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 60.7 m -62.11 -34.2 75.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.24 112.06 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.941 HD11 ' HB3' ' A' ' 112' ' ' MET . 15.2 tt -81.78 -20.72 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 120.996 0.427 . . . . 74.24 111.03 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -78.88 -16.25 57.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 75.43 111.2 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.57 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.8 mmt -58.93 -42.0 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 51.45 112.033 -175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.454 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -78.47 -31.56 47.96 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.631 -0.428 . . . . 74.34 110.872 -178.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.619 HD21 HD13 ' A' ' 74' ' ' LEU . 2.0 mp -58.84 -44.76 91.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 112.226 0.454 . . . . 71.14 112.226 -173.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 58' ' ' PHE . 45.0 mt -57.92 -53.82 40.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 75.14 110.637 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.0 mmtt -71.04 -28.98 64.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 65.14 111.072 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 14.0 tp -73.67 -36.73 65.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.252 . . . . 71.32 110.442 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 102' ' ' TYR . 8.8 mtpm? -71.68 -33.11 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.869 -0.333 . . . . 73.11 110.363 177.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 61' ' ' SER . 90.1 mt -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 44.14 110.445 175.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 80.4 mt-30 -78.69 -20.19 50.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.893 -0.594 . . . . 71.24 111.185 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.72 -11.73 6.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.234 -0.984 . . . . 75.13 113.445 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.672 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 95.2 m-85 -80.93 156.8 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.138 0.469 . . . . 75.12 110.477 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -173.36 134.52 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.081 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.5 mt -139.56 161.96 53.9 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 61.22 109.873 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.01 -168.41 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.915 2.41 . . . . 71.45 112.278 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.651 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 29.1 m -73.79 -3.24 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 33.34 111.272 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.9 97.8 8.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.11 -0.496 . . . . 61.14 110.46 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 74' ' ' LEU . 1.9 pp -83.4 151.77 63.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 72.11 110.499 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.49 153.76 72.77 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.639 2.226 . . . . 64.02 112.43 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.9 -23.19 76.46 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.539 . . . . 74.21 112.472 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.26 -26.72 36.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.544 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.941 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -71.77 -49.09 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 62.54 111.439 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -21.95 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.755 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.386 -0.825 . . . . 61.54 109.972 -175.437 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.468 . . . . 70.34 111.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.752 ' HH2' HD11 ' A' ' 104' ' ' LEU . 92.2 m95 -73.76 -17.54 61.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 71.13 110.999 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.56 143.69 42.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.768 -0.651 . . . . 74.31 111.04 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.473 HG12 ' HE3' ' A' ' 93' ' ' LYS . 47.3 mt -110.25 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.306 0.574 . . . . 74.03 109.506 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -87.22 176.53 7.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.421 -0.809 . . . . 62.22 110.371 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.942 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 47.4 t -55.29 -37.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 75.41 111.17 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.4 mp0 -61.12 -47.14 87.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.437 -0.208 . . . . 72.14 110.437 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -68.09 -32.89 73.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.436 -0.347 . . . . 40.45 111.154 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.942 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -72.3 -42.65 65.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.635 -0.426 . . . . 72.51 109.853 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 32' ' ' ARG . . . -66.93 -39.3 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.806 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 11.6 tmtt? -57.37 -46.13 83.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 73.05 110.709 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 7.5 p-80 -77.85 -28.35 50.07 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.487 -0.485 . . . . 61.23 110.843 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.05 -45.14 93.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.157 0.503 . . . . 71.04 110.017 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.47 -44.4 84.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.531 -0.759 . . . . 61.03 110.521 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 35' ' ' HIS . 18.5 mt-30 -73.18 -28.07 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.76 . . . . 75.31 111.202 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -34.82 79.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.86 -0.793 . . . . 74.23 108.86 175.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.89 -37.16 86.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 64.14 110.224 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 m -75.19 -16.45 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 74.34 111.89 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.7 tt -69.66 -21.66 63.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.036 -0.727 . . . . 73.45 109.036 174.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mppt? 63.94 75.95 0.36 Allowed Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 115.027 -0.988 . . . . 73.35 110.645 -172.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.33 139.17 53.66 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.477 2.118 . . . . 73.42 111.368 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.57 -54.62 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 62.22 110.605 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -156.16 50.32 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.909 -0.587 . . . . 73.12 109.557 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 6.8 68.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 74.42 112.267 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -143.37 165.65 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.449 . . . . 71.33 109.786 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.31 175.45 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 72.03 109.923 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.645 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 11.5 p -133.35 -177.07 4.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 75.34 110.451 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.16 -37.16 93.5 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.146 -0.55 . . . . 73.41 112.523 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.64 -35.66 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.048 0.452 . . . . 72.54 110.27 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.645 ' HB2' ' H ' ' A' ' 50' ' ' THR . 2.8 mp0 -67.46 -40.16 85.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 73.34 110.43 176.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' O ' ' HD1' ' A' ' 58' ' ' PHE . . . -64.41 -46.29 83.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 71.33 109.765 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.07 -49.82 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 72.41 110.936 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -64.04 -38.53 91.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 72.22 111.108 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.52 -51.46 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.576 -0.283 . . . . 64.4 110.924 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' HD1' ' O ' ' A' ' 54' ' ' ALA . 29.8 m-85 -60.43 -40.29 90.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.359 -0.382 . . . . 72.23 111.308 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -65.79 -31.17 72.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 74.12 110.721 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -79.18 5.39 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.762 -0.654 . . . . 71.12 111.619 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -85.89 -46.96 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.911 -0.493 . . . . 72.35 111.104 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.76 -3.61 29.02 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.932 -0.651 . . . . 44.25 111.806 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.86 150.27 58.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.432 -0.21 . . . . 64.54 110.432 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 67' ' ' VAL . 24.3 Cg_endo -64.13 153.57 75.55 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.332 2.022 . . . . 71.5 111.873 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -58.62 -45.08 99.68 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.825 0.676 . . . . 73.43 112.825 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 81.3 Cg_exo -51.67 -41.07 63.39 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.848 1.699 . . . . 73.1 112.218 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG13 ' HE2' ' A' ' 98' ' ' LYS . 56.0 t -70.15 -40.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 74.35 110.62 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.21 -45.82 92.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.9 -0.591 . . . . 74.2 110.736 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.24 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 65.43 111.168 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -46.38 85.12 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.3 -0.63 . . . . 64.43 109.3 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 95' ' ' ILE . 96.9 mt -65.67 -42.89 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.764 -0.653 . . . . 75.42 110.67 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -64.64 -43.99 91.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.226 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 -27.84 68.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 75.03 110.636 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' HG ' ' A' ' 108' ' ' LEU . 2.3 mt -76.39 -48.4 19.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.56 -0.746 . . . . 75.02 111.106 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -72.25 -44.25 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 74.12 112.057 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.699 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 19.9 t0 -76.81 77.85 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.485 -0.931 . . . . 74.04 108.485 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -67.86 -45.88 73.33 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.053 -0.976 . . . . 72.1 111.676 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -76.38 -12.57 60.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.607 -0.516 . . . . 62.35 109.607 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.699 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 47.23 71.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.3 -1.318 . . . . 73.13 112.085 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -91.92 -21.9 20.33 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.553 -0.749 . . . . 73.55 109.85 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.81 -6.13 73.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.876 -0.678 . . . . 63.13 112.612 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -18.68 13.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.822 -0.222 . . . . 75.13 111.433 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 48.0 ttm 61.18 101.14 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.678 0.752 . . . . 62.24 111.975 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 17.5 t70 -73.14 168.09 19.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.706 -0.679 . . . . 63.43 109.614 176.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.26 -24.83 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.714 -0.221 . . . . 74.14 110.75 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.53 -43.98 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.009 0.433 . . . . 71.32 109.97 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 5.0 mm-40 -68.54 -37.74 80.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 73.12 109.941 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -70.31 -28.66 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.546 . . . . 74.35 110.843 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.3 t -59.18 -32.68 70.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 63.32 110.839 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.8 tt -96.65 -12.86 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 64.23 110.504 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -76.77 -36.66 56.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.992 -0.549 . . . . 64.4 112.101 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -27.22 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 75.32 110.772 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HE3' HG12 ' A' ' 27' ' ' ILE . 51.5 mmtt -59.83 -48.8 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 70.41 110.403 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.487 HD11 ' HG ' ' A' ' 104' ' ' LEU . 1.3 mp -69.24 -39.65 78.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 74.13 112.191 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 71' ' ' ILE . 38.0 mm -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.112 0.482 . . . . 70.4 110.264 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -71.38 -38.76 71.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.695 -0.684 . . . . 73.5 110.3 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.4 tp -66.59 -41.55 88.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 75.42 111.459 -175.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HE2' HG13 ' A' ' 67' ' ' VAL . 25.6 mtpp -71.62 -27.33 63.03 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.59 -0.444 . . . . 64.51 111.348 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.76 -34.62 74.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.984 0.421 . . . . 74.3 110.588 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -75.47 -25.96 57.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 75.22 110.535 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.12 45.75 0.67 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.538 -0.839 . . . . 63.34 113.344 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 47.7 m-85 -110.22 159.09 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.037 0.446 . . . . 65.22 110.718 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.436 ' C ' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.08 145.45 43.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 65.04 111.362 -178.028 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.752 HD11 ' HH2' ' A' ' 25' ' ' TRP . 3.0 mm? -132.14 145.19 56.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 74.31 111.101 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 74' ' ' LEU . 86.2 Cg_endo -87.61 -164.41 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.12 2.547 . . . . 61.31 111.674 172.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.6 m -92.89 10.33 31.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.297 0.57 . . . . 44.14 110.918 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.7 114.51 8.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 71.03 110.725 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.86 ' HG ' HD22 ' A' ' 74' ' ' LEU . 71.8 mt -84.95 156.7 60.68 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.514 -0.312 . . . . 74.53 110.806 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.89 153.56 43.44 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.916 2.411 . . . . 74.54 112.686 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.9 -22.04 27.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 53.13 113.076 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.1 -36.47 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 72.14 111.698 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 59.8 mtp -70.79 -26.61 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 73.4 111.399 -173.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.32 -21.21 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.106 -0.497 . . . . 63.42 111.28 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.548 -0.751 . . . . 75.55 109.789 -171.581 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.3 0.572 . . . . 72.31 110.08 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -106.09 14.29 27.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.596 -0.729 . . . . 75.35 110.926 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.2 173.25 6.39 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.841 -1.072 . . . . 73.23 109.905 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -86.5 92.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.236 0.541 . . . . 65.05 110.094 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -70.59 162.44 28.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.151 -0.932 . . . . 63.15 109.837 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 t -49.96 -47.21 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 122.389 0.276 . . . . 64.44 111.221 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.08 -51.26 70.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.446 -0.343 . . . . 42.33 111.171 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.67 -42.42 78.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 70.13 110.2 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 1.1 tmt_? -58.74 -41.61 86.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.344 -0.844 . . . . 72.14 110.022 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.02 -31.48 50.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.885 0.374 . . . . 52.13 111.297 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -59.02 -40.65 85.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 71.43 112.537 -175.244 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -57.56 -32.4 67.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.806 0.336 . . . . 71.53 111.39 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.22 -49.29 67.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 72.14 111.138 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -73.79 -31.35 63.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.911 -0.586 . . . . 71.3 111.168 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.8 mm100 -64.88 -40.64 95.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.529 -0.545 . . . . 72.1 109.529 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HE1' HD12 ' A' ' 49' ' ' ILE . 32.7 t80 -67.4 -35.82 80.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 72.04 110.092 177.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.85 -41.96 97.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.713 -0.676 . . . . 73.31 109.919 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -75.27 -17.88 60.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.035 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.684 HD13 HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -64.9 -21.02 66.74 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.074 0.464 . . . . 63.31 109.808 178.151 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 66.18 66.78 0.74 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.185 -0.916 . . . . 72.4 110.83 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.46 133.82 27.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.955 1.77 . . . . 72.31 111.237 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.65 -65.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 74.41 110.734 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -101.38 22.88 11.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.205 0.526 . . . . 74.41 110.975 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.33 -2.78 71.55 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.032 -0.827 . . . . 62.45 111.032 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -126.31 169.64 12.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.489 -0.56 . . . . 73.04 109.489 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.684 HG21 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -128.8 -176.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.801 -0.444 . . . . 74.43 109.801 178.641 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 t -149.46 -177.88 6.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 74.1 109.529 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.26 94.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.44 -0.409 . . . . 71.34 112.696 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.38 -36.34 83.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.705 0.288 . . . . 74.34 111.331 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HB2' ' H ' ' A' ' 50' ' ' THR . 83.2 mm-40 -64.91 -46.38 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.558 0.218 . . . . 75.3 110.566 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.74 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.324 0.583 . . . . 53.21 110.242 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.58 -42.5 64.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.907 -1.042 . . . . 74.14 111.483 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -75.77 -48.66 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.296 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 78.4 t80 -58.26 -47.14 84.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.538 -0.301 . . . . 72.35 111.748 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.961 ' HB3' HD22 ' A' ' 68' ' ' LEU . 3.6 m-85 -59.66 -42.31 92.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 72.43 110.444 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -70.92 -34.9 71.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.532 . . . . 71.21 110.347 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -22.45 64.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.759 . . . . 73.33 110.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m -70.23 -18.99 63.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.046 -0.524 . . . . 52.42 111.093 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.19 21.88 9.67 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.559 -0.829 . . . . 41.41 112.859 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 99' ' ' LEU . 87.6 mt -111.57 143.79 29.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 110.413 -0.218 . . . . 74.44 110.413 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 22.4 Cg_exo -66.08 153.55 77.65 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.749 2.3 . . . . 72.01 111.929 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.0 tt0 -57.03 -46.45 99.87 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.091 0.774 . . . . 74.21 113.091 -175.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 12.4 Cg_endo -57.42 -24.35 60.33 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.053 1.835 . . . . 75.41 112.11 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.767 HG13 ' HE2' ' A' ' 98' ' ' LYS . 77.1 t -80.6 -38.86 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 74.3 109.952 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.3 mt -63.24 -50.58 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.264 -0.88 . . . . 73.43 111.086 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.79 65.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 61.5 111.822 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -67.51 -37.52 82.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.342 -0.39 . . . . 64.31 111.072 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.725 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.8 mt -69.49 -47.38 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 74.53 109.903 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.439 ' HD1' ' SD ' ' A' ' 83' ' ' MET . 22.1 t90 -62.04 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.275 -0.875 . . . . 73.54 111.278 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.19 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 62.42 111.308 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.768 HD13 HD23 ' A' ' 108' ' ' LEU . 23.3 mt -84.73 -31.34 24.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 64.33 111.682 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -63.96 -59.15 4.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.214 -0.903 . . . . 41.12 112.536 -172.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.86 ' HB3' ' HG2' ' A' ' 83' ' ' MET . 39.1 p-10 -78.06 95.44 4.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 122.108 0.956 . . . . 72.32 110.303 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.4 mtm -59.83 -30.26 68.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.895 -1.048 . . . . 54.32 111.011 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -84.89 -11.96 54.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 54.11 110.27 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.547 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 65.1 t30 47.74 62.71 2.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.161 -0.927 . . . . 62.3 111.374 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.5 -17.53 17.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 63.15 110.53 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.3 4.8 66.05 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.679 -0.772 . . . . 64.42 113.313 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -121.06 -41.61 2.53 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 117.458 0.629 . . . . 71.31 110.733 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.86 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 62.4 mtm 69.73 130.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.226 0.954 . . . . 74.23 111.624 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.55 -178.62 4.19 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.168 -1.049 . . . . 63.4 108.168 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.23 -25.67 67.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.568 0.223 . . . . 60.23 110.616 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.22 -54.05 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 41.42 110.275 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 21.1 mp0 -65.36 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 53.25 110.671 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.58 -31.01 67.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 71.23 110.822 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.3 t -64.15 -26.87 68.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.849 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 108' ' ' LEU . 15.5 tt -96.5 -23.66 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.955 0.407 . . . . 71.41 110.264 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -70.62 -36.8 73.68 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.126 -0.488 . . . . 42.22 111.716 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.072 0.463 . . . . 63.04 110.823 -177.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -67.53 -42.74 82.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 74.44 109.467 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 71' ' ' ILE . 3.0 tp -69.67 -37.39 76.67 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.845 -0.616 . . . . 74.51 110.72 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ALA . 56.9 mt -59.51 -46.67 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.865 -0.42 . . . . 62.43 109.865 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.2 -48.53 81.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 74.11 111.289 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.67 -42.26 86.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.296 -0.411 . . . . 51.32 111.771 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.767 ' HE2' HG13 ' A' ' 67' ' ' VAL . 41.3 mtpt -73.39 -26.82 61.15 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.46 -0.496 . . . . 75.21 111.149 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.537 ' HA ' HD21 ' A' ' 63' ' ' LEU . 25.5 mt -61.19 -31.35 71.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.822 0.344 . . . . 74.33 110.562 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.64 -25.12 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.598 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 113.4 53.14 0.47 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 21.34 113.144 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -126.9 157.08 40.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.067 -0.346 . . . . 75.05 110.067 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.52 133.7 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.268 -0.424 . . . . 74.0 110.474 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 mp -131.63 144.7 54.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.503 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.565 ' O ' HD11 ' A' ' 74' ' ' LEU . 87.4 Cg_endo -86.36 -164.76 0.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.14 2.56 . . . . 75.34 111.466 173.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.664 ' HA ' HD21 ' A' ' 74' ' ' LEU . 19.4 m -72.64 -0.46 13.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 75.11 111.634 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.53 82.09 8.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.002 0.429 . . . . 73.13 110.674 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -75.77 139.46 70.22 Favored Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 108.831 -0.803 . . . . 51.14 108.831 177.045 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.576 ' HD2' HD13 ' A' ' 108' ' ' LEU . 34.5 Cg_exo -62.34 152.15 78.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.154 1.902 . . . . 64.44 112.489 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.29 -14.62 14.69 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.48 2.12 . . . . 64.3 112.227 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.89 -40.91 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.382 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 69.8 mmm -61.38 -43.43 98.88 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.044 0.45 . . . . 53.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 9.7 ptmt -89.6 -13.94 36.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 63.44 110.922 -176.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 N--CA 1.466 0.335 0 C-N-CA 124.172 0.989 . . . . 75.33 113.405 175.533 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.406 0.622 . . . . 73.42 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.701 ' CH2' HD21 ' A' ' 104' ' ' LEU . 22.0 m95 -104.56 0.59 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.4 -0.818 . . . . 74.14 111.217 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.37 140.27 30.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.184 -0.916 . . . . 34.34 110.437 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.47 100.24 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 63.32 110.905 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.844 HG22 ' HG2' ' A' ' 31' ' ' GLU . 1.8 t -86.6 177.86 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 73.05 109.941 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.47 -51.86 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 122.28 0.232 . . . . 63.2 111.617 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.08 -41.73 93.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.536 -0.302 . . . . 70.4 110.781 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.844 ' HG2' HG22 ' A' ' 28' ' ' THR . 10.4 mm-40 -62.27 -43.07 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.38 0.609 . . . . 60.43 110.369 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.13 -32.54 73.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.7 -0.682 . . . . 73.03 110.685 -176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.65 -17.95 34.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.487 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' SD ' ' A' ' 92' ' ' MET . 46.2 tptt -59.51 -43.24 93.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 75.32 111.946 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.0 p-80 -57.45 -34.66 69.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.431 -0.35 . . . . 75.32 111.864 -174.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.59 -45.46 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.162 0.506 . . . . 62.43 110.585 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -50.18 73.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.246 -0.888 . . . . 64.43 109.872 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.38 -43.22 95.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.32 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -58.27 -37.16 74.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.063 0.459 . . . . 63.3 110.543 -178.582 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.06 -41.32 95.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.846 -0.616 . . . . 74.24 110.443 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 t -77.48 -18.87 56.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.851 -0.613 . . . . 55.21 111.593 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -0.76 15.96 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.407 0.521 . . . . 44.3 112.407 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 68.86 68.27 0.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.422 -0.808 . . . . 73.12 110.855 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.59 124.08 8.0 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.407 1.405 . . . . 73.5 111.403 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -53.8 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.478 -0.783 . . . . 74.53 109.435 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -146.92 -46.9 0.18 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.272 -1.01 . . . . 74.4 108.272 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.06 37.22 0.33 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.186 -1.166 . . . . 73.14 110.186 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -139.97 156.74 46.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.396 -0.402 . . . . 62.13 110.68 -173.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.529 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -136.76 166.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.827 -0.805 . . . . 75.14 108.827 170.628 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -141.13 168.98 18.49 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.121 -0.231 . . . . 64.22 110.873 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.67 -34.57 82.58 Favored Glycine 0 C--N 1.334 0.453 0 O-C-N 123.359 0.412 . . . . 62.04 112.524 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.76 -53.06 61.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.721 0.296 . . . . 64.11 111.511 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -70.65 -31.23 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 73.44 110.331 -178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.54 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 109.969 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 96.0 mtt180 -60.03 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 72.31 110.971 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.2 -39.46 79.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 63.33 111.167 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.87 -59.21 5.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.731 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.694 ' CE1' ' HA ' ' A' ' 55' ' ' ARG . 1.3 p90 -75.85 -17.35 59.85 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.011 -0.676 . . . . 70.1 111.748 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -40.7 97.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.621 -0.511 . . . . 65.4 109.621 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.99 -8.65 57.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.786 -0.643 . . . . 61.42 111.266 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 58' ' ' PHE . 20.1 m -77.12 -19.99 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.953 0.406 . . . . 75.04 110.439 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.74 23.87 34.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.43 113.311 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HB2' HD21 ' A' ' 68' ' ' LEU . 68.1 mt -95.36 148.34 34.48 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.84 -0.43 . . . . 71.01 109.84 175.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 39.2 Cg_exo -62.15 153.1 71.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.948 2.432 . . . . 65.51 112.241 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.1 mt-30 -52.23 -51.21 74.17 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 112.868 0.692 . . . . 75.31 112.868 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 11.6 Cg_endo -56.27 -35.01 95.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.132 1.888 . . . . 63.31 112.046 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 68.4 t -74.27 -39.08 48.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.982 -0.554 . . . . 74.13 110.448 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 83.7 mt -62.01 -51.62 67.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.777 -0.647 . . . . 73.24 110.532 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -32.28 71.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 75.22 110.712 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.65 -34.78 78.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.459 178.38 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.827 HG13 ' HD2' ' A' ' 98' ' ' LYS . 55.5 mt -66.03 -51.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.725 0.298 . . . . 64.33 110.436 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -66.5 -41.46 88.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.128 -0.487 . . . . 75.03 111.126 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.13 66.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 62.31 111.278 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 104' ' ' LEU . 11.6 mt -91.54 -44.36 9.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 73.24 111.225 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -67.38 -34.07 76.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 55.24 111.423 -176.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.722 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -75.28 76.78 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.417 -0.957 . . . . 71.22 108.417 174.433 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.75 -44.57 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 74.2 111.794 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -81.17 -14.82 57.22 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.935 -0.765 . . . . 75.52 108.935 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.722 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 65.2 t30 42.95 74.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.281 -1.327 . . . . 55.12 113.433 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -102.44 -10.38 19.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.45 0.643 . . . . 72.43 109.598 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.98 18.79 6.67 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.668 -0.777 . . . . 71.32 112.316 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -176.19 134.42 0.25 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.354 0.597 . . . . 74.22 110.404 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.0 ptp -84.91 128.78 34.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.752 -1.113 . . . . 73.31 111.271 -175.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.15 -179.35 5.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 74.13 109.124 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.54 -37.21 67.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.882 0.31 . . . . 73.2 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.73 -37.64 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.63 -0.259 . . . . 64.4 111.222 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 90' ' ' ILE . 6.8 mm-40 -73.74 -41.83 61.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.274 0.559 . . . . 73.44 110.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.1 -28.03 69.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 75.35 110.663 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -60.88 -15.2 27.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.829 -0.623 . . . . 70.44 111.585 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 112' ' ' MET . 14.9 tt -104.54 -20.95 5.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.922 0.392 . . . . 75.31 111.428 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -67.72 -22.92 65.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.051 0.453 . . . . 73.03 110.968 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.425 ' SD ' ' HB3' ' A' ' 34' ' ' LYS . 25.6 ptt? -48.18 -41.95 28.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.896 -1.047 . . . . 71.31 112.732 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -13.23 21.4 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.773 -0.371 . . . . 64.13 111.669 -173.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.6 mp -70.78 -46.28 63.19 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.799 -0.36 . . . . 60.23 110.819 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 71' ' ' ILE . 53.7 mt -64.45 -42.24 94.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.233 0.54 . . . . 73.22 109.546 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.85 -38.02 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.086 -0.961 . . . . 72.33 110.832 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.81 -38.72 27.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 71.24 111.321 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.827 ' HD2' HG13 ' A' ' 71' ' ' ILE . 36.6 mttp -69.4 -30.05 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.958 -0.297 . . . . 73.4 111.498 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.55 -14.13 61.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 61.44 110.557 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -90.87 -5.61 55.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.288 0.566 . . . . 65.04 110.039 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.84 55.41 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.886 -0.597 . . . . 75.32 112.83 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -137.18 162.44 33.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.206 0.527 . . . . 63.44 111.118 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' C ' HD12 ' A' ' 104' ' ' LEU . 5.0 pm0 -142.59 165.14 28.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.22 -0.9 . . . . 74.22 109.463 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.4 mp -140.62 167.08 18.9 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.67 -0.492 . . . . 74.43 109.67 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.5 -169.74 0.51 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.342 2.028 . . . . 72.4 111.31 168.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.1 m -85.53 -4.85 59.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.176 0.513 . . . . 64.05 111.069 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.71 115.56 20.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 53.43 111.069 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.34 155.18 46.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.143 -0.481 . . . . 55.01 110.305 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 51.2 Cg_exo -56.21 152.82 36.24 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.907 2.404 . . . . 72.41 113.328 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 16.6 Cg_exo -68.87 -17.4 41.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.142 2.561 . . . . 73.22 112.495 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.44 -26.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.578 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.757 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -74.34 -25.45 59.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.923 -0.581 . . . . 74.41 111.371 -178.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.31 -6.08 17.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 71.21 110.764 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 115.25 -0.886 . . . . 53.43 111.736 -179.249 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 120.76 0.314 . . . . 65.41 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -112.62 -16.3 12.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.614 0.598 . . . . 75.22 112.614 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.23 164.58 21.1 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.47 -0.492 . . . . 42.23 110.495 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.24 96.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 75.34 110.216 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 29' ' ' VAL . 28.0 m -74.75 166.84 22.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.736 -0.665 . . . . 72.12 109.825 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 28' ' ' THR . 9.4 p -48.72 -38.02 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 122.665 0.386 . . . . 74.24 111.617 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.07 -55.45 34.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.637 -0.256 . . . . 74.51 111.3 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -34.01 76.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.19 0.519 . . . . 73.33 110.219 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -66.8 -39.91 87.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 74.25 110.277 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 -33.37 47.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.318 -0.401 . . . . 61.13 111.601 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -57.81 -28.09 63.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.335 0.494 . . . . 54.04 112.335 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -63.0 -26.23 68.76 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.501 -0.48 . . . . 52.42 111.751 -176.675 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 35' ' ' HIS . 21.5 t70 -72.49 -49.38 33.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.226 0.536 . . . . 72.31 110.509 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -62.22 -35.46 78.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.337 -0.847 . . . . 62.31 111.038 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 52.13 110.563 177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 1.0 OUTLIER -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.431 0.634 . . . . 64.41 110.134 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.86 -37.31 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.128 -0.942 . . . . 71.12 111.109 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -76.22 -18.2 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.974 -176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 88' ' ' PHE . 4.2 mm? -74.34 -11.17 60.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 75.21 111.522 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 59.96 66.29 2.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.614 -0.721 . . . . 70.21 110.244 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.25 129.2 30.46 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.771 2.314 . . . . 61.13 112.841 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 tt -93.4 119.97 42.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.0 -1.0 . . . . 75.55 109.377 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m 63.77 -81.49 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.747 -0.66 . . . . 72.13 110.027 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.43 21.43 0.73 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.283 -0.484 . . . . 24.12 111.999 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.45 -179.2 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.762 0.315 . . . . 72.22 110.422 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.95 178.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.832 -0.433 . . . . 71.41 109.832 176.214 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.5 p -126.66 -178.65 4.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.487 -0.324 . . . . 74.51 110.771 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' H ' ' HG2' ' A' ' 82' ' ' ARG . . . -69.06 -41.32 81.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.046 -0.597 . . . . 63.5 112.554 -176.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.57 -41.96 98.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.643 0.259 . . . . 54.04 110.451 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.8 -45.67 92.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 54.3 110.498 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -55.22 36.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.825 -0.625 . . . . 51.15 111.143 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 3.5 tmm_? -63.48 -34.93 78.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.589 -176.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.59 -48.1 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 71.33 110.772 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.67 -44.84 95.98 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.293 -0.412 . . . . 73.41 111.313 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.924 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.1 m-30 -55.29 -45.99 76.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 73.21 110.311 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.62 -31.91 69.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 75.51 110.56 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -29.64 70.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.805 -0.634 . . . . 72.33 109.686 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 m -66.09 -29.27 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.879 -0.6 . . . . 72.23 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 6.67 29.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.486 -0.864 . . . . 15.23 113.364 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.19 144.9 39.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.905 0.353 . . . . 70.04 110.323 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.4 Cg_endo -62.45 154.33 64.98 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.716 2.277 . . . . 74.25 112.548 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.7 tt0 -55.79 -49.2 94.26 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.184 0.809 . . . . 62.15 113.184 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.8 Cg_endo -55.25 -34.8 89.51 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.988 1.792 . . . . 64.3 112.116 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG13 ' HD3' ' A' ' 98' ' ' LYS . 59.8 t -74.33 -36.65 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.74 -0.664 . . . . 70.14 110.501 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 58' ' ' PHE . 58.7 mt -62.12 -50.31 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 73.4 110.118 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.08 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.928 -1.033 . . . . 53.11 110.575 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -46.72 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 73.3 110.343 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.537 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.4 mt -64.13 -48.75 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.634 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.46 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.2 t90 -65.91 -40.69 91.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 70.52 111.295 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 53.43 110.987 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.788 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.1 mt -79.43 -46.78 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 71.22 111.075 175.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.54 -50.04 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.705 -0.68 . . . . 55.2 111.75 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -77.64 81.5 4.08 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.252 -0.647 . . . . 64.21 109.252 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.6 mtm -61.03 -30.15 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.979 -1.01 . . . . 74.25 111.25 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.72 -10.69 44.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.746 -0.464 . . . . 73.4 109.746 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 53.07 47.54 24.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.266 -0.879 . . . . 75.2 110.266 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.23 -35.0 66.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 71.5 109.834 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 102.55 3.51 50.0 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.569 -0.742 . . . . 73.45 111.662 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 84.8 mtt180 -138.18 -30.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.577 0.227 . . . . 75.25 111.048 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.3 mtm 68.35 150.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.266 0.979 . . . . 64.22 111.316 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 12.9 t70 -107.83 -167.85 1.3 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.307 -0.997 . . . . 71.34 108.307 175.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 5.8 mm100 -70.52 -27.66 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.035 0.445 . . . . 65.04 110.254 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.64 -55.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 65.2 110.148 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.62 -32.78 74.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 64.44 110.943 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 58.6 t80 -69.41 -39.65 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 74.35 110.501 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 t -60.53 -37.75 82.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 73.42 110.536 -176.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.1 tt -82.71 -27.45 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.843 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -63.74 -35.64 81.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.269 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -54.9 -43.3 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 60.42 110.76 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' LYS . 38.1 tptt -65.51 -41.26 93.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 70.01 111.158 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -64.7 -33.73 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.478 -0.328 . . . . 64.32 111.801 -175.223 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' ' 58' ' ' PHE . 58.5 mt -65.46 -50.31 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.14 0.495 . . . . 75.43 109.869 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 59.8 mmtt -64.78 -40.05 94.61 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.454 -0.794 . . . . 65.13 110.163 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 15.5 tp -57.0 -50.81 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.072 -0.967 . . . . 74.42 111.024 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HD3' HG13 ' A' ' 67' ' ' VAL . 47.3 mttp -68.7 -28.76 67.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.193 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -77.06 -13.85 59.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.329 -0.396 . . . . 41.41 111.068 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 31.4 mm-40 -88.71 -24.87 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.52 110.57 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.79 57.48 0.49 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.656 -0.783 . . . . 33.35 112.602 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.548 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 97.0 m-85 -133.41 167.69 19.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.006 -0.368 . . . . 73.35 110.006 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -131.5 165.53 23.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 73.12 110.195 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.514 HD21 HD23 ' A' ' 108' ' ' LEU . 24.9 tp -168.55 142.12 2.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.436 ' O ' HD11 ' A' ' 74' ' ' LEU . 3.1 Cg_endo -87.91 -163.68 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.46 2.774 . . . . 61.34 112.28 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.3 m -76.01 5.95 5.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.825 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.0 117.98 34.8 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.288 -0.414 . . . . 54.33 111.148 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.788 ' HG ' HD22 ' A' ' 74' ' ' LEU . 81.0 mt -90.84 144.56 30.42 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 63.25 110.259 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 38.1 Cg_endo -67.84 152.24 77.55 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 121.914 1.742 . . . . 74.43 111.797 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.2 Cg_exo -70.89 -7.04 20.52 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.213 2.609 . . . . 74.25 113.002 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.1 t -82.76 -39.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.429 . . . . 65.4 111.245 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.479 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 82.3 mtp -72.75 -35.49 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 53.55 110.723 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -9.67 48.4 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 64.4 109.755 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.235 0.303 0 CA-C-N 115.192 -0.913 . . . . 60.52 111.732 -179.273 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 121.01 0.433 . . . . 71.04 110.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 112' ' ' MET . 89.6 m95 -90.68 -23.29 20.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.845 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 144.62 56.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.04 -0.527 . . . . 64.42 110.444 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.51 102.37 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.369 0.604 . . . . 73.3 109.507 174.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 159.29 25.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.093 -0.958 . . . . 74.44 110.456 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.54 -34.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.185 0.517 . . . . 52.24 110.949 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.32 -47.17 68.26 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.64 -0.709 . . . . 63.13 110.917 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.8 -37.44 84.38 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.525 0.678 . . . . 71.32 109.858 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 4.1 tmt_? -61.42 -34.77 75.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.172 -0.922 . . . . 75.52 110.381 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.69 -23.27 27.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 74.43 111.547 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.28 -35.09 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.875 -0.602 . . . . 74.41 112.012 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -57.38 -34.97 69.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 65.41 111.831 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 13.8 t70 -67.1 -39.4 86.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.444 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.25 -46.02 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 75.24 110.552 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.28 -44.75 71.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 62.35 110.778 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' HZ ' ' HA ' ' A' ' 48' ' ' PHE . 60.1 t80 -62.27 -39.69 93.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.84 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.38 -31.74 71.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 75.43 110.551 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 m -75.6 -19.49 59.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.003 -0.544 . . . . 31.4 111.981 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 57' ' ' PHE . 65.7 mt -81.86 3.79 24.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.814 0.302 . . . . 75.32 111.814 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 54.82 73.27 0.91 Allowed Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 123.843 0.715 . . . . 55.52 111.236 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -51.11 128.45 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.964 1.776 . . . . 52.15 111.648 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.89 -27.18 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.499 0.666 . . . . 75.12 110.993 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -141.71 -69.04 0.37 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.224 -1.028 . . . . 65.02 108.224 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.07 19.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.391 -1.083 . . . . 71.34 110.391 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.623 ' HA ' ' HZ ' ' A' ' 39' ' ' PHE . 20.1 p90 -163.38 177.19 9.13 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.625 -0.288 . . . . 75.41 110.333 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.55 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 65.1 110.336 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 52' ' ' ASP . 10.3 t -148.21 176.71 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 60.24 109.955 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.44 -31.74 63.45 Favored Glycine 0 C--N 1.332 0.307 0 O-C-N 123.272 0.357 . . . . 75.2 113.134 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.484 ' H ' HG23 ' A' ' 50' ' ' THR . 35.5 t70 -60.97 -41.0 95.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 60.43 110.77 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.39 -42.28 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 71.33 109.981 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.18 85.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.56 -0.745 . . . . 64.13 111.06 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -60.26 -39.56 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.811 -0.631 . . . . 72.21 111.55 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -75.0 -32.99 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.646 -0.252 . . . . 71.24 110.826 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.82 ' HD2' HD21 ' A' ' 42' ' ' LEU . 62.7 t80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.628 -0.508 . . . . 54.3 109.628 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.948 ' HB3' HD22 ' A' ' 68' ' ' LEU . 22.4 m-30 -53.3 -48.71 68.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 74.2 110.724 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.19 -48.09 81.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.809 . . . . 74.23 111.87 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.73 -3.05 19.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 74.3 111.575 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -84.71 -17.93 36.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 73.3 110.585 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.9 38.61 5.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.467 -0.873 . . . . 73.22 113.138 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 68' ' ' LEU . 60.9 mt -130.53 150.3 75.92 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 110.355 -0.239 . . . . 52.52 110.355 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 14.6 Cg_exo -69.89 149.21 65.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.931 2.421 . . . . 74.03 112.019 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 68' ' ' LEU . 40.1 mt-30 -53.44 -44.51 97.72 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 113.491 0.923 . . . . 73.42 113.491 -176.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.43 -34.64 42.28 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.136 1.891 . . . . 72.35 112.754 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 47.0 t -83.07 -32.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.425 0.631 . . . . 74.31 110.078 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.948 HD22 ' HB3' ' A' ' 58' ' ' PHE . 72.0 mt -66.9 -48.11 69.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.348 -0.842 . . . . 55.42 110.935 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.84 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.384 -0.826 . . . . 62.24 111.138 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.468 HE22 HD12 ' A' ' 74' ' ' LEU . 1.1 tm0? -61.37 -42.88 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 70.1 109.582 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.025 HD13 HG12 ' A' ' 95' ' ' ILE . 35.7 mt -66.89 -46.17 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.676 -0.693 . . . . 72.52 110.3 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.611 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 21.1 t90 -64.12 -39.76 94.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.442 -0.799 . . . . 65.12 111.314 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.02 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 53.25 110.937 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.802 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.2 mt -91.07 -31.39 16.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.541 -0.754 . . . . 62.1 112.443 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -63.18 -69.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.14 0.422 . . . . 71.31 112.14 -168.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 100.69 8.44 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.543 -0.863 . . . . 73.33 108.726 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.6 mtm -51.84 -29.53 19.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.072 -1.422 . . . . 74.22 112.904 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -77.98 -11.13 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.939 0.399 . . . . 61.32 110.242 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 56.35 53.25 8.97 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.947 -1.131 . . . . 64.32 107.947 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.78 -28.9 30.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.894 -1.503 . . . . 55.13 110.345 -170.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.56 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 87.54 16.22 60.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.716 -0.754 . . . . 54.3 111.716 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -103.38 -44.04 5.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.932 0.345 . . . . 74.25 111.932 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.4 ttm 51.69 78.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.303 -0.862 . . . . 71.31 109.541 -163.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.12 175.33 6.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.201 -0.909 . . . . 74.01 109.213 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.84 -32.01 71.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.444 -0.206 . . . . 74.02 110.444 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.55 -46.02 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 72.3 110.141 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.26 -38.21 87.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.506 0.669 . . . . 55.02 109.823 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.12 -29.4 69.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.558 -0.746 . . . . 64.21 110.324 175.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -66.51 -33.06 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 64.21 110.733 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 108' ' ' LEU . 18.0 tt -92.6 -23.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.273 0.559 . . . . 61.21 110.619 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -84.56 -22.74 29.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 60.45 112.039 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 13.3 ptm -56.34 -39.76 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 63.42 111.865 -176.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 13.0 ptpt -91.8 -4.29 55.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.028 -0.669 . . . . 71.24 111.392 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -67.02 -48.61 67.83 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.174 -0.676 . . . . 72.53 109.174 173.026 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 1.025 HG12 HD13 ' A' ' 71' ' ' ILE . 22.5 mt -63.87 -38.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.508 0.671 . . . . 73.42 109.663 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 84.1 tttt -55.24 -43.52 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.595 -1.184 . . . . 63.34 110.874 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.15 -18.33 29.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 74.12 112.028 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.673 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -57.58 -49.58 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.092 0.472 . . . . 74.35 109.967 173.35 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.01 -22.01 62.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.384 -0.826 . . . . 71.03 111.006 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.74 -26.99 29.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.3 110.741 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.87 0.75 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.731 -0.747 . . . . 75.2 113.741 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -129.06 148.24 50.99 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.667 -0.864 . . . . 72.21 108.667 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.628 ' HA ' ' NZ ' ' A' ' 98' ' ' LYS . 10.6 pt20 -117.08 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.287 -0.565 . . . . 75.43 112.417 -175.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.589 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 28.7 mt 66.55 148.46 0.11 Allowed Pre-proline 0 N--CA 1.468 0.445 0 C-N-CA 123.211 0.604 . . . . 73.22 111.529 -170.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 3.1 Cg_endo -87.26 -164.7 0.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.256 2.637 . . . . 61.12 111.116 171.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.526 ' HA ' HD21 ' A' ' 74' ' ' LEU . 5.9 p -73.27 -5.19 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.437 0.637 . . . . 64.32 111.267 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.06 100.35 12.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.587 -0.733 . . . . 70.41 111.061 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.802 ' HG ' HD22 ' A' ' 74' ' ' LEU . 24.9 mt -71.18 144.36 89.66 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.624 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 17.2 Cg_exo -68.79 151.94 74.14 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.373 2.049 . . . . 61.41 111.857 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 11.1 Cg_exo -72.11 -19.58 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 123.108 2.539 . . . . 71.25 112.438 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.93 -18.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.77 -0.65 . . . . 64.32 110.702 -174.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 70.2 mtp -92.0 -21.14 20.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 61.13 110.565 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -74.28 -31.34 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.858 -0.61 . . . . 75.32 111.565 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.703 0.764 . . . . 55.44 112.478 -178.095 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 73.52 111.369 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.468 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 53.8 m95 -100.4 -24.14 14.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.221 0.534 . . . . 70.44 110.68 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.0 116.14 6.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.474 -0.784 . . . . 75.43 111.948 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -92.69 88.76 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.585 0.707 . . . . 71.43 109.19 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -172.96 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.159 -0.928 . . . . 73.34 111.36 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.31 -41.11 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 62.4 110.766 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.14 -32.89 74.38 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.621 0.248 . . . . 44.52 110.77 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HE1' ' A' ' 92' ' ' MET . 32.6 mm-40 -71.5 -36.88 71.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.388 0.613 . . . . 74.33 109.494 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -63.24 -48.66 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.702 -0.681 . . . . 74.04 110.119 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.05 78.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.996 -0.547 . . . . 60.05 110.62 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.09 -48.28 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 62.01 111.837 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -64.53 -32.59 74.29 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 119.959 -0.697 . . . . 75.43 109.176 -175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.49 -50.13 66.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.321 -0.854 . . . . 71.54 111.42 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.35 -42.04 90.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.169 0.509 . . . . 75.42 110.923 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.56 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -71.1 -40.06 71.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.853 -0.612 . . . . 71.21 110.562 178.64 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.823 ' HE1' HG23 ' A' ' 49' ' ' ILE . 12.6 t80 -55.43 -46.04 76.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 75.42 110.042 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -59.81 -43.11 94.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.132 -0.94 . . . . 73.23 111.272 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -75.26 -19.13 59.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.883 -0.598 . . . . 51.33 112.354 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 38' ' ' GLN . 59.3 mt -79.89 1.78 25.87 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.392 0.516 . . . . 73.01 112.392 -174.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 60.37 66.2 1.98 Allowed Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 109.752 -0.462 . . . . 52.22 109.752 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.67 147.17 81.12 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.861 1.708 . . . . 75.3 111.918 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.4 mt -76.67 95.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.167 -0.679 . . . . 71.45 109.167 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m 66.97 -69.89 0.12 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.853 0.721 . . . . 74.51 111.328 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.58 17.1 0.75 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.58 -0.819 . . . . 31.44 112.758 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.9 173.02 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.533 0.206 . . . . 73.11 110.531 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.823 HG23 ' HE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -124.67 -177.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.875 -0.417 . . . . 63.5 109.875 174.466 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.745 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.4 m -141.93 -173.24 3.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.359 -0.608 . . . . 71.45 109.359 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 50' ' ' THR . . . -54.33 -42.01 73.0 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.562 -0.351 . . . . 72.53 113.479 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.681 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 6.8 m-20 -61.55 -42.39 98.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.042 0.421 . . . . 64.21 111.568 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 10.5 mm100 -65.97 -37.14 85.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.805 -0.443 . . . . 74.05 109.805 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.11 96.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 74.2 110.314 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HD2' ' HA ' ' A' ' 52' ' ' ASP . 98.1 mtt180 -52.51 -50.54 62.59 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.63 -0.714 . . . . 74.31 111.2 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 27.6 t-20 -64.6 -44.89 89.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 74.02 111.315 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 42' ' ' LEU . 67.8 t80 -56.99 -49.57 75.35 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.803 0.335 . . . . 72.31 110.996 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 95' ' ' ILE . 12.9 m-30 -65.18 -43.86 90.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.258 -0.428 . . . . 63.31 110.478 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.454 ' HD1' HD11 ' A' ' 68' ' ' LEU . 63.5 t80 -67.0 -39.49 87.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.221 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -59.79 -22.91 62.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 72.53 111.024 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 m -80.01 -8.44 59.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.419 . . . . 73.43 111.37 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.01 43.16 5.13 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.616 -0.802 . . . . 73.54 112.64 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 HG11 ' A' ' 67' ' ' VAL . 66.9 mt -119.25 143.87 35.12 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 122.867 -0.196 . . . . 73.15 110.513 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.575 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 40.6 Cg_endo -70.77 163.06 40.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.854 2.369 . . . . 74.31 113.123 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.713 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 23.5 tt0 -53.1 -55.16 36.61 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 113.404 0.89 . . . . 74.01 113.404 -172.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 65' ' ' GLN . 35.0 Cg_exo -60.9 -31.35 91.48 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 121.988 1.792 . . . . 63.21 112.341 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG13 ' HD3' ' A' ' 98' ' ' LYS . 53.3 t -71.71 -35.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 62.54 110.713 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 46.7 mt -60.25 -48.25 82.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.587 0.708 . . . . 74.01 109.91 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.77 -37.85 77.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 75.11 111.333 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.529 HE21 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -60.34 -44.88 95.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.401 178.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 98' ' ' LYS . 38.0 mt -66.34 -46.11 87.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.461 -0.336 . . . . 73.51 110.363 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -62.12 -44.79 95.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.916 -0.584 . . . . 74.42 111.33 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.45 71.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.981 0.419 . . . . 63.44 111.655 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.739 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.9 mp -88.03 -27.85 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 65.43 112.121 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -62.73 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.42 0.526 . . . . 64.44 112.42 -170.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.781 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 p-10 -84.08 94.39 8.32 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.746 0.784 . . . . 54.32 110.023 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.8 ptp -59.27 -30.75 68.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.649 -1.159 . . . . 54.22 111.778 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.29 -13.03 61.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.734 -0.666 . . . . 73.02 110.29 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.8 t30 46.74 67.85 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.111 -0.95 . . . . 64.43 111.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -105.09 -15.99 14.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.335 -0.848 . . . . 73.35 109.694 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.0 36.09 64.59 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.855 -0.898 . . . . 74.12 110.855 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 50' ' ' THR . 70.6 ttt180 -146.29 -44.69 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.107 -0.546 . . . . 72.31 109.95 -173.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 15.1 ptp 56.09 115.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 125.341 1.651 . . . . 72.32 112.499 -177.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.45 175.2 10.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.425 -0.954 . . . . 74.51 108.425 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 8.7 mm100 -56.09 -23.61 34.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.088 0.773 . . . . 52.33 113.088 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.44 -54.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.612 -0.514 . . . . 74.31 109.612 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.781 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.0 mp0 -66.62 -28.66 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 61.14 110.729 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 93.5 t80 -67.47 -38.94 85.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.988 0.423 . . . . 74.12 110.478 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -66.72 -36.17 81.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.901 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 87' ' ' GLU . 17.0 tt -79.78 -30.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.37 -0.377 . . . . 70.14 110.651 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -72.96 -37.26 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.583 -0.281 . . . . 72.11 111.508 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.433 ' HE1' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -72.19 -24.97 61.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.019 0.437 . . . . 71.31 110.258 -179.407 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -76.6 -37.17 56.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 75.33 110.099 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' OH ' ' A' ' 102' ' ' TYR . 1.2 mp -59.42 -34.64 72.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.638 -0.71 . . . . 73.45 111.317 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.743 HD13 HD13 ' A' ' 71' ' ' ILE . 37.0 mm -56.02 -45.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 74.34 111.865 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 96' ' ' LYS . 7.4 tmtm? -61.69 -42.74 99.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.504 -0.317 . . . . 74.22 110.309 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 tp -79.13 -26.86 42.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.211 0.529 . . . . 73.14 110.293 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.776 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.3 -31.31 67.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.5 178.335 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.81 -19.34 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 72.21 110.546 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -86.18 -17.03 35.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 72.12 110.535 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.68 45.18 6.92 Favored Glycine 0 C--O 1.226 -0.351 0 C-N-CA 121.119 -0.562 . . . . 73.14 113.186 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.42 ' OH ' ' HG ' ' A' ' 94' ' ' LEU . 5.0 p90 -81.64 170.09 16.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.125 0.462 . . . . 64.54 110.42 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -130.03 134.12 47.19 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.74 -0.663 . . . . 61.12 110.474 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.2 tp -159.33 144.23 11.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 75.34 109.617 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.74 178.65 5.51 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.754 2.303 . . . . 44.23 111.758 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.739 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 40.2 m -66.39 -15.3 63.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.96 0.41 . . . . 45.54 111.236 -174.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.82 86.7 7.32 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.193 0.52 . . . . 73.35 110.861 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -78.79 150.58 75.75 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.705 -0.679 . . . . 71.52 109.963 174.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.45 152.25 78.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.462 2.108 . . . . 54.41 113.08 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 60.9 Cg_endo -74.22 -5.74 17.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.982 2.455 . . . . 75.2 112.192 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.88 -27.22 29.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.319 0.58 . . . . 71.1 110.215 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' A' ' 25' ' ' TRP . 44.2 mtp -84.42 -48.87 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 73.24 110.66 -178.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 6.9 ptpt -69.64 -19.28 63.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.399 -0.364 . . . . 73.31 110.196 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 115.223 -0.898 . . . . 74.45 109.982 -177.464 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 112.083 0.401 . . . . 61.53 112.083 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -91.0 8.77 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 65.41 111.541 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.87 -170.01 1.59 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.155 -0.93 . . . . 31.11 109.628 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -128.7 97.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.515 0.674 . . . . 72.41 109.639 171.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -65.46 158.17 27.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.773 -1.103 . . . . 72.13 109.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.96 -30.22 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.972 0.415 . . . . 64.22 110.231 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.81 -46.67 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 71.53 110.18 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 46.6 mt-10 -66.5 -32.97 74.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.049 0.452 . . . . 73.32 110.237 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -66.18 -38.91 89.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.499 . . . . 71.33 110.1 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.01 56.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 73.53 110.771 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 2.5 tmtm? -60.23 -26.75 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.564 -0.744 . . . . 64.04 110.865 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 8.4 p-80 -58.41 -34.43 70.75 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.864 -0.421 . . . . 73.22 109.864 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.64 -48.46 74.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 52.02 110.253 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.04 -45.36 93.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 54.52 111.015 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HG2' ' HB2' ' A' ' 92' ' ' MET . 3.6 tp-100 -67.6 -50.84 56.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 75.31 110.523 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.785 ' HE1' HG23 ' A' ' 49' ' ' ILE . 3.9 t80 -64.12 -35.43 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 74.44 110.978 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -66.32 -34.41 77.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 72.44 110.201 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 m -75.91 -17.5 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 72.42 111.828 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.8 tt -73.44 -19.65 60.91 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.74 -0.467 . . . . 64.14 109.74 177.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 75.48 0.36 Allowed Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.316 -0.856 . . . . 75.1 110.306 -171.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 10.2 Cg_endo -58.0 136.7 76.75 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.497 2.131 . . . . 74.24 111.591 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.1 tt -66.36 -35.28 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.691 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.64 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -156.55 44.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.749 0.785 . . . . 52.12 109.112 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.86 -1.68 87.93 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.472 -0.785 . . . . 52.32 112.439 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.64 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.4 p90 -143.99 170.1 16.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.656 -0.498 . . . . 72.45 109.656 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.785 HG23 ' HE1' ' A' ' 39' ' ' PHE . 2.3 pt -123.51 179.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 65.12 110.201 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -158.58 -174.63 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.853 -0.795 . . . . 61.34 108.853 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -54.07 -37.68 59.17 Favored Glycine 0 C--N 1.333 0.407 0 O-C-N 123.296 0.373 . . . . 72.32 112.815 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.74 -53.53 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 111.435 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -72.01 -29.74 64.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 71.54 110.901 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.47 94.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 71.13 110.14 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 39.6 mmt180 -58.05 -49.81 75.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 53.41 111.025 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.1 -48.48 79.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.955 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.26 -52.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.516 -0.311 . . . . 70.14 110.824 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 3.9 m-85 -59.19 -47.05 86.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.074 -0.512 . . . . 62.42 111.578 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.6 -38.64 87.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.047 0.451 . . . . 75.14 110.626 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -72.33 -12.01 60.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.046 -0.525 . . . . 65.35 110.76 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -20.98 61.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.252 -0.431 . . . . 63.13 110.31 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.54 8.46 64.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 52.4 112.807 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 68' ' ' LEU . 92.7 mt -90.84 144.29 30.03 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.58 -0.155 . . . . 64.14 110.58 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 36.7 Cg_exo -61.94 158.18 39.82 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.952 2.434 . . . . 70.3 112.513 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 47.4 mt-30 -55.77 -52.81 69.18 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.808 0.67 . . . . 72.24 112.808 -175.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.04 -38.22 92.68 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 121.837 1.692 . . . . 75.12 111.923 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.582 HG13 ' HD2' ' A' ' 98' ' ' LYS . 72.8 t -62.38 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.814 . . . . 63.02 110.766 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 63' ' ' LEU . 96.4 mt -69.7 -48.22 60.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.803 -0.635 . . . . 65.43 110.901 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.7 70.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.509 -0.769 . . . . 75.31 111.101 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.79 -41.24 95.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 71.31 110.314 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 95' ' ' ILE . 67.4 mt -74.92 -40.46 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 54.21 110.808 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.464 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 18.3 t90 -65.11 -40.31 94.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.473 -0.33 . . . . 74.03 110.504 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.9 -17.82 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 64.22 110.734 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 108' ' ' LEU . 12.6 mt -92.52 -37.69 12.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.338 -0.846 . . . . 75.23 112.354 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.86 -63.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.017 0.377 . . . . 62.15 112.017 -169.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.681 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 14.9 p-10 -83.66 93.91 8.0 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.991 0.9 . . . . 74.31 108.872 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -61.14 -29.77 69.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.166 -1.379 . . . . 71.04 111.924 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -82.19 -7.57 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.049 0.452 . . . . 72.24 110.058 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.468 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 65.3 t30 49.67 72.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.855 -1.066 . . . . 72.52 110.684 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.45 -19.79 21.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.883 -1.053 . . . . 61.34 109.578 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.464 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 73.55 39.02 50.84 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.712 -0.677 . . . . 44.45 112.013 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HE ' ' HB2' ' A' ' 84' ' ' ASP . 14.7 ptm180 -121.04 -51.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.894 0.378 . . . . 74.45 111.514 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.442 ' N ' ' HG3' ' A' ' 82' ' ' ARG . 48.0 ttm 55.11 81.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.959 -1.019 . . . . 64.34 110.258 -170.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.469 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 4.9 t70 -83.77 -173.17 4.56 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.422 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -18.89 64.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.043 0.449 . . . . 72.33 110.404 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.02 -55.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.814 -0.63 . . . . 73.3 110.07 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 3.4 mp0 -64.04 -42.69 96.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.408 -0.36 . . . . 75.11 110.736 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.83 -32.17 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 65.02 111.122 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.42 -30.29 71.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.713 0.292 . . . . 61.3 111.223 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.457 HD13 HD21 ' A' ' 108' ' ' LEU . 19.7 tt -98.79 -27.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.427 . . . . 74.13 110.835 -178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.74 35.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 72.04 111.979 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 35' ' ' HIS . 22.3 ptt? -57.07 -38.4 73.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.616 -0.265 . . . . 74.13 111.551 -176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -85.26 -15.8 42.29 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.623 -0.431 . . . . 62.44 110.9 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -41.38 71.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.677 -0.49 . . . . 71.33 109.677 174.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 71' ' ' ILE . 31.8 mm -61.12 -40.91 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.367 -0.605 . . . . 63.13 109.367 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 14.6 tmtt? -60.39 -48.12 83.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.018 -0.992 . . . . 72.44 110.955 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.69 -24.97 53.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.962 0.41 . . . . 72.24 111.059 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.582 ' HD2' HG13 ' A' ' 67' ' ' VAL . 16.1 tppt? -70.89 -36.95 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.79 0.329 . . . . 75.24 110.227 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.11 -21.52 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 52.42 110.576 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 68.5 mm-40 -91.49 -12.25 35.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.532 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.11 17.41 20.5 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.794 -0.717 . . . . 64.3 113.645 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -86.51 159.09 19.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.342 0.591 . . . . 75.34 111.028 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -136.21 145.79 46.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.657 -0.701 . . . . 54.22 110.871 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.3 pt? -151.55 144.65 17.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.445 -0.946 . . . . 71.12 108.445 172.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 6.2 Cg_exo -77.36 -168.53 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.02 2.48 . . . . 74.23 112.855 -175.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 p -75.33 -1.24 22.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.401 0.619 . . . . 62.13 111.074 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.7 94.16 7.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 42.44 109.979 174.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 74' ' ' LEU . 13.6 tp -63.07 141.53 97.72 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.131 -0.692 . . . . 62.25 109.131 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 28.0 Cg_exo -63.85 150.9 87.37 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.055 1.837 . . . . 71.35 112.659 -174.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 3.1 Cg_exo -77.31 -25.28 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 123.093 2.529 . . . . 73.32 111.904 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.85 -22.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.929 -0.578 . . . . 72.11 110.767 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.73 -36.93 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.007 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.31 -21.8 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.915 -0.314 . . . . 72.12 110.502 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--O 1.234 0.288 0 CA-C-N 115.752 -0.658 . . . . 65.15 109.708 -175.75 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 121.161 0.505 . . . . 63.35 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.69 ' HH2' HD11 ' A' ' 104' ' ' LEU . 96.9 m95 -89.18 -19.84 24.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 74.3 111.007 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.03 141.41 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.046 -0.525 . . . . 75.14 110.431 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -87.64 97.56 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.259 0.552 . . . . 73.53 110.081 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.74 169.29 17.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.224 -0.898 . . . . 51.5 110.443 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -53.02 -41.47 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.511 0.196 . . . . 60.33 110.608 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.66 -49.07 77.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 71.55 110.772 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.894 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 7.7 mm-40 -62.33 -32.88 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 61.14 111.004 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -73.7 -49.89 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.98 -0.555 . . . . 75.34 110.284 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.89 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.447 0.536 . . . . 64.43 112.447 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.894 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 16.5 ptmt -62.94 -25.16 68.21 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 111.727 0.269 . . . . 63.11 111.727 -174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 10.6 p-80 -61.5 -32.31 72.34 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 74.31 110.728 -177.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.41 -52.72 62.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.391 -0.822 . . . . 65.1 111.714 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -68.68 -42.09 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 72.3 111.718 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.725 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . 2.3 mp0 -67.22 -38.56 85.47 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.121 -0.231 . . . . 74.5 111.343 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -60.13 -43.0 96.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.283 0.563 . . . . 75.22 109.616 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -55.45 -35.29 65.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.342 -0.844 . . . . 71.12 111.408 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 m -73.75 -17.84 61.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.779 0.659 . . . . 43.41 112.779 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 57' ' ' PHE . 58.0 mt -91.52 3.07 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.261 -0.275 . . . . 75.51 111.556 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 59.26 70.46 1.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.691 -0.686 . . . . 74.41 111.605 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 30.3 Cg_endo -65.58 134.86 39.84 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.024 1.816 . . . . 51.1 111.494 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.1 mp -74.8 -76.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.163 -0.471 . . . . 74.5 109.983 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.8 m -115.87 28.31 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.312 0.577 . . . . 74.52 109.95 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.57 55.26 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.507 -0.769 . . . . 64.23 111.993 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -128.39 151.79 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 74.12 110.57 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -137.79 -178.27 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.543 -0.753 . . . . 72.31 109.174 175.393 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 52' ' ' ASP . 15.1 t -136.43 -172.29 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.614 -0.513 . . . . 74.33 109.614 176.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 54' ' ' ALA . . . -60.6 -22.95 60.06 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.498 -0.382 . . . . 73.42 113.474 -175.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' H ' HG23 ' A' ' 50' ' ' THR . 34.9 t70 -67.1 -43.66 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.821 0.31 . . . . 73.24 110.924 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.03 -38.44 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 63.32 110.088 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -58.56 -40.93 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 65.34 111.878 -177.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 13.3 ptp180 -63.22 -36.66 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.675 0.274 . . . . 60.31 110.954 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.98 -30.15 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 75.53 110.3 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.725 ' HE1' ' HB3' ' A' ' 38' ' ' GLN . 66.1 t80 -57.43 -59.44 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.679 -0.691 . . . . 75.42 111.542 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 14.3 p90 -78.28 -26.42 47.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 72.31 111.119 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -64.42 -39.8 94.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.024 0.44 . . . . 71.42 110.177 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.8 -23.64 65.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 62.53 110.758 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.9 t -61.23 -47.38 86.35 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.489 -0.323 . . . . 74.21 110.847 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.85 30.27 5.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.579 -0.819 . . . . 70.11 113.05 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.5 mt -97.06 157.93 34.16 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.962 -0.384 . . . . 51.11 109.962 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 31.8 Cg_exo -59.87 151.14 73.44 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.67 2.247 . . . . 40.55 112.324 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mp0 -51.25 -50.89 73.25 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.109 0.781 . . . . 72.13 113.109 -176.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.5 Cg_exo -56.62 -34.15 94.91 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.064 1.843 . . . . 62.54 112.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 59.0 t -74.8 -37.33 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.229 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 82.4 mt -62.09 -49.9 74.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.546 -0.752 . . . . 73.51 111.06 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.35 76.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.707 -0.679 . . . . 74.21 110.88 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -64.84 -40.98 96.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.893 -0.594 . . . . 73.23 110.307 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.555 ' HA ' HD23 ' A' ' 94' ' ' LEU . 27.7 mt -55.76 -54.36 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.314 -0.403 . . . . 74.51 110.868 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.78 -47.6 82.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.702 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.86 70.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 73.03 111.553 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 74' ' ' LEU . 3.9 mt -79.23 -31.49 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.575 . . . . 74.52 111.628 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 -63.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.471 -173.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 27.7 p-10 -85.35 86.23 7.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.804 0.811 . . . . 73.03 109.543 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.52 -29.26 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.883 -1.053 . . . . 75.54 111.196 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -71.67 -11.38 60.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 73.14 110.683 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.83 72.18 0.49 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.9 0.857 . . . . 75.2 109.212 -171.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 15.8 t70 -87.39 -39.34 15.36 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.548 -1.206 . . . . 61.13 109.828 -170.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.19 -12.32 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 71.41 111.93 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -119.88 -29.24 5.02 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.586 -0.524 . . . . 74.5 109.586 176.578 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 ttp 67.64 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.522 -1.217 . . . . 74.31 109.805 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.14 -179.1 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.953 -1.021 . . . . 72.13 110.225 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.64 -47.21 73.78 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.976 0.732 . . . . 71.54 112.976 -169.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.88 -44.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 65.31 110.514 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.582 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 6.2 mp0 -66.68 -41.02 88.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.755 -0.657 . . . . 73.5 110.543 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.88 -31.92 72.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.815 -0.629 . . . . 74.24 110.9 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -72.1 -30.99 65.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.474 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 87' ' ' GLU . 12.7 tt -81.45 -21.0 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 74.23 111.011 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.0 -16.87 63.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 74.03 111.078 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 25.7 mmt -59.31 -31.12 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 70.11 111.601 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.818 ' HG2' HD23 ' A' ' 97' ' ' LEU . 23.6 ttmm -83.31 -37.56 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.431 -0.35 . . . . 72.33 110.691 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -59.79 -42.11 92.68 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 121.205 -0.198 . . . . 73.31 111.186 -177.469 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.506 HG13 ' HE2' ' A' ' 57' ' ' PHE . 34.2 mm -59.92 -41.48 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 70.22 109.945 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 13.1 tmtt? -69.15 -44.8 71.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.222 -0.899 . . . . 64.14 110.662 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.818 HD23 ' HG2' ' A' ' 93' ' ' LYS . 4.4 pp -77.44 -33.21 54.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 73.14 112.007 -176.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 103' ' ' GLN . 38.3 mttp -68.71 -35.3 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.963 -0.295 . . . . 74.22 111.098 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.22 -23.26 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.361 . . . . 71.13 110.667 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 27.4 mm-40 -83.05 -19.24 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 75.45 110.605 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.44 63.88 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.575 -0.821 . . . . 41.32 113.107 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -144.34 162.24 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.207 -0.294 . . . . 73.42 110.207 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.528 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 63.7 tt0 -129.37 -45.93 1.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.221 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HH2' ' A' ' 25' ' ' TRP . 10.0 mp 72.76 158.58 0.16 Allowed Pre-proline 0 N--CA 1.47 0.553 0 O-C-N 123.764 0.665 . . . . 74.43 112.008 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.0 -163.69 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.999 2.466 . . . . 65.42 111.764 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 p -85.75 8.59 19.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.487 0.661 . . . . 73.11 111.195 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.61 114.32 11.9 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.007 -0.997 . . . . 65.12 110.523 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.93 155.79 75.08 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.503 -0.317 . . . . 75.04 110.927 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.07 153.8 30.77 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.982 2.454 . . . . 74.15 113.185 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 31.7 Cg_endo -63.25 -20.25 70.26 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.261 2.641 . . . . 65.13 112.851 -177.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.5 -29.47 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 75.22 110.672 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.8 mtp -79.14 -36.93 39.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.883 -0.327 . . . . 62.0 110.648 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 20.3 ptmt -82.98 -7.28 59.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 75.51 110.121 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 . . . . . 0 C--O 1.234 0.241 0 CA-C-N 114.97 -1.013 . . . . 72.32 112.392 174.059 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 75.42 110.274 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' HH2' HD23 ' A' ' 104' ' ' LEU . 42.3 m95 -78.87 -2.38 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 73.32 111.201 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.7 164.24 11.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.946 -0.57 . . . . 75.43 110.1 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.7 mt -91.37 90.53 3.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 74.5 110.24 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -70.23 162.33 28.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.517 -0.765 . . . . 71.12 110.324 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.56 -35.83 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 71.14 110.475 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.99 -44.81 95.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 72.41 110.033 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 92' ' ' MET . 16.5 mm-40 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 75.45 110.562 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 54.3 ttt-85 -65.43 -51.47 60.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 73.24 110.356 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.63 90.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 71.14 110.531 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.83 -51.92 66.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.903 -0.589 . . . . 63.44 111.927 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 9.8 p80 -61.99 -31.81 72.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.519 -0.472 . . . . 74.41 110.999 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.97 -44.35 73.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 74.44 110.269 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.3 -40.23 95.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.051 -0.522 . . . . 62.13 110.297 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.8 -46.57 88.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 71.22 109.648 177.662 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 4.8 t80 -60.43 -41.51 94.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.89 -1.05 . . . . 74.34 110.191 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -60.25 -40.28 89.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.435 -0.802 . . . . 75.54 110.583 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 m -75.3 -18.31 60.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.848 -0.615 . . . . 75.12 111.855 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 57' ' ' PHE . 74.1 mt -77.98 -12.6 60.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.67 -0.241 . . . . 65.35 110.782 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 13.0 mptt 66.15 80.99 0.22 Allowed Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 74.32 110.608 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 19.4 Cg_endo -59.34 149.08 83.43 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.946 2.431 . . . . 73.13 111.618 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 48' ' ' PHE . 11.3 tp -81.57 -32.59 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.044 0.449 . . . . 72.5 111.077 -175.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -163.75 45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.631 0.729 . . . . 72.2 109.171 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.04 -16.47 60.84 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.413 -0.812 . . . . 62.21 111.692 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.6 p90 -135.15 163.44 29.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.706 -0.479 . . . . 73.11 109.706 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.534 HG23 ' CZ ' ' A' ' 39' ' ' PHE . 41.8 pt -99.59 -164.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.727 -0.842 . . . . 52.24 108.727 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 12.2 t -147.96 177.32 9.45 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 120.459 -0.496 . . . . 60.12 110.036 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -55.0 -47.89 70.36 Favored Glycine 0 C--O 1.228 -0.25 0 O-C-N 123.352 0.408 . . . . 34.44 113.801 -173.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.56 -40.47 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.273 0.559 . . . . 74.32 110.517 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.6 -31.53 68.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 53.11 110.555 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.52 -47.33 79.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 72.24 110.113 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 94.9 mtt180 -59.56 -40.75 88.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.607 -0.724 . . . . 61.52 110.373 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -54.03 -50.74 66.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.572 -0.74 . . . . 73.32 111.063 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.572 ' HD2' HD21 ' A' ' 42' ' ' LEU . 59.4 t80 -57.39 -48.83 78.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.618 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.628 ' HB3' HD22 ' A' ' 68' ' ' LEU . 17.6 m-30 -61.57 -48.55 80.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 75.44 110.698 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -61.38 -41.05 96.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.981 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -69.37 -9.66 54.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.367 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -84.22 -16.48 43.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.421 -0.354 . . . . 62.34 111.053 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.18 38.21 6.85 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.623 -0.798 . . . . 41.03 113.216 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 71.4 mt -113.88 147.87 38.65 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.713 -0.286 . . . . 75.21 110.433 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 26.4 Cg_exo -63.96 158.9 44.9 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.855 2.37 . . . . 64.23 112.61 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.3 mt-30 -54.19 -53.09 62.82 Favored Pre-proline 0 N--CA 1.467 0.41 0 N-CA-C 112.997 0.74 . . . . 72.22 112.997 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -59.35 -21.58 61.45 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.211 1.941 . . . . 70.11 112.209 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 62.3 t -85.7 -44.59 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.052 -0.522 . . . . 73.41 109.928 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 58' ' ' PHE . 82.3 mt -56.02 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.43 0.633 . . . . 70.53 110.682 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.02 -0.991 . . . . 55.43 110.474 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' VAL . 23.1 tp60 -67.08 -45.21 77.97 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.645 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 95' ' ' ILE . 2.5 mp -69.95 -37.81 73.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.259 -0.577 . . . . 54.22 110.438 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -62.78 -46.84 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.963 -0.295 . . . . 75.24 110.27 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.62 67.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 70.42 110.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' A' ' 106' ' ' SER . 19.9 mt -80.18 -39.05 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 72.35 111.957 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -70.63 -71.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.622 0.601 . . . . 63.52 112.622 -168.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.773 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 4.0 p-10 -75.29 92.82 2.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 122.163 0.982 . . . . 73.12 109.524 178.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.4 mtm -62.29 -29.39 70.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.325 -1.307 . . . . 72.53 110.777 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 80' ' ' ASP . 1.5 p30 -83.23 -13.67 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 64.32 109.942 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.773 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 t-20 44.9 76.69 0.08 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.985 -1.007 . . . . 72.43 111.405 -175.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.531 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 9.3 p-10 -96.95 -36.66 10.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 61.14 110.529 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.51 6.5 38.36 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.694 -0.765 . . . . 73.4 112.676 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -121.34 -32.19 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.636 -0.505 . . . . 75.22 109.636 172.422 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.7 ttm 71.62 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.946 -1.025 . . . . 63.25 110.536 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.453 ' OD2' HG12 ' A' ' 86' ' ' VAL . 26.2 t70 -67.26 168.68 10.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.487 -0.779 . . . . 75.45 109.934 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.62 -33.89 75.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.334 -0.393 . . . . 64.13 110.593 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' OD2' ' A' ' 84' ' ' ASP . 9.2 p -69.55 -39.43 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.826 0.346 . . . . 52.42 110.282 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 4.2 mm-40 -68.71 -39.51 80.42 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.604 0.716 . . . . 72.3 109.341 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.2 -31.49 72.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.837 . . . . 75.35 111.081 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 m -59.83 -31.61 69.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 64.24 111.891 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' GLU . 17.3 tt -86.7 -26.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 34.53 110.767 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.58 -34.08 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 51.4 111.699 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.12 -23.25 67.35 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.509 0.559 . . . . 74.11 112.509 -173.473 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -100.4 -28.85 12.72 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.774 -0.37 . . . . 72.44 110.793 177.386 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.57 -38.57 84.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 64.31 111.75 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG12 HG21 ' A' ' 71' ' ' ILE . 15.7 mm -61.1 -49.45 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.37 . . . . 41.32 110.677 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 99' ' ' LEU . 56.6 mmtt -66.95 -35.1 79.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.264 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 17.4 tp -59.72 -40.55 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.7 -0.682 . . . . 64.14 110.327 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -67.37 -38.76 85.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.564 -0.744 . . . . 64.21 110.064 178.511 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 96' ' ' LYS . 74.0 mt -68.31 -29.95 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 64.1 111.226 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 14.0 mm100 -74.5 -13.35 60.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 70.01 110.952 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.51 40.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.884 -0.675 . . . . 71.42 113.185 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 86.8 m-85 -87.85 158.65 18.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.136 0.494 . . . . 74.01 110.421 178.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -87.24 138.4 31.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.76 -0.655 . . . . 43.34 110.626 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 ' HH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -168.32 88.4 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 74.11 109.997 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.54 -162.98 0.19 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 123.697 2.931 . . . . 71.15 112.702 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.72 ' HA ' HD21 ' A' ' 74' ' ' LEU . 2.8 p -69.96 -1.4 9.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.633 -0.712 . . . . 72.05 111.804 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.75 105.01 17.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.522 -0.763 . . . . 73.22 110.91 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 74' ' ' LEU . 21.7 mt -72.32 143.51 85.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.458 -0.337 . . . . 75.23 110.398 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 5.6 Cg_exo -75.15 153.51 41.15 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.921 2.414 . . . . 73.4 111.989 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -40.36 62.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.937 2.425 . . . . 72.34 112.658 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.1 -21.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 53.3 111.288 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.585 ' SD ' ' HD2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -89.59 -40.01 12.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.694 -0.685 . . . . 71.23 111.81 -178.696 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -46.04 18.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 73.0 111.433 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 N--CA 1.465 0.277 0 O-C-N 123.224 0.327 . . . . 64.43 111.075 178.9 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 120.662 0.267 . . . . 74.31 111.285 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -94.19 -20.68 19.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.972 0.415 . . . . 73.53 111.083 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.44 143.08 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.96 -0.564 . . . . 74.01 110.808 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -103.45 88.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 29' ' ' VAL . 1.8 m -75.63 176.5 7.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.017 -0.992 . . . . 74.43 110.128 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' THR . 57.7 t -54.65 -37.13 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.802 0.334 . . . . 54.14 111.073 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -64.4 -41.51 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 65.13 111.222 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 8.6 mm-40 -73.62 -30.73 63.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 74.31 110.485 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -67.36 -52.29 41.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.081 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -20.01 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 61.15 111.067 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 9.5 tptm -56.29 -39.29 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.825 . . . . 64.31 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -27.83 63.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.888 -0.597 . . . . 74.34 111.939 -174.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.77 -55.51 25.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.47 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -68.16 -42.91 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 71.12 110.408 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 92' ' ' MET . 84.6 mm-40 -58.44 -51.29 70.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 61.14 111.12 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.02 -36.18 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.072 -0.513 . . . . 75.52 110.853 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -71.02 -32.59 69.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.32 -0.4 . . . . 74.5 110.98 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -77.16 -19.38 56.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.467 -0.333 . . . . 73.2 110.682 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -71.05 -10.11 59.19 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.001 -0.545 . . . . 53.01 110.367 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 57.41 80.84 0.27 Allowed Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.15 111.945 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HB2' ' H ' ' A' ' 47' ' ' GLY . 43.2 Cg_endo -71.47 149.73 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.244 1.963 . . . . 74.24 111.447 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.46 -42.49 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.113 0.483 . . . . 74.12 110.439 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -155.66 14.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.371 0.605 . . . . 60.32 109.538 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 44' ' ' PRO . . . 126.17 -14.79 6.95 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.417 -0.81 . . . . 63.22 111.093 -171.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -117.24 159.76 22.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.912 -0.403 . . . . 54.22 109.912 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.629 ' HB ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 pp -131.75 -174.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.025 -0.534 . . . . 75.51 109.745 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.7 t -161.37 173.06 15.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.577 -0.449 . . . . 52.14 111.25 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.73 -45.16 96.83 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.027 -0.533 . . . . 72.33 113.671 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.73 -43.39 94.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 72.31 111.445 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' OE1' ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.94 -31.93 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.891 -0.323 . . . . 75.15 110.534 -179.174 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.4 90.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.878 0.371 . . . . 72.42 110.556 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -52.89 -43.78 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 62.31 111.354 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -70.73 -50.42 36.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.259 -0.428 . . . . 63.34 110.751 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -56.63 -49.15 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.802 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 68' ' ' LEU . 4.9 m-85 -59.01 -46.38 88.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 73.3 111.266 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.576 ' HA ' HD11 ' A' ' 68' ' ' LEU . 58.1 t80 -67.34 -31.02 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.065 0.459 . . . . 61.25 110.947 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.55 5.52 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.1 -0.5 . . . . 75.35 112.29 -178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 99' ' ' LEU . 87.5 p -83.26 -31.02 27.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 74.31 110.01 175.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.81 9.95 15.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.847 -0.692 . . . . 61.44 112.483 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HB2' HD21 ' A' ' 68' ' ' LEU . 78.8 mt -99.88 144.45 28.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.299 -0.26 . . . . 64.22 110.299 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 23.6 Cg_exo -66.24 152.84 80.13 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.919 2.413 . . . . 75.44 112.121 175.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 78.7 mt-30 -55.65 -47.65 98.22 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 113.293 0.849 . . . . 71.21 113.293 -176.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.2 Cg_exo -54.99 -36.41 92.41 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.809 1.673 . . . . 72.24 112.008 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 57.5 t -73.78 -37.97 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 63.34 110.361 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 58' ' ' PHE . 95.5 mt -64.55 -46.13 84.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.56 -0.745 . . . . 44.43 111.024 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.85 64.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.203 -0.908 . . . . 55.51 111.043 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.77 -38.07 85.83 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.985 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 95' ' ' ILE . 90.9 mt -67.83 -43.72 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 74.33 110.16 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -67.15 -45.34 77.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 75.22 110.893 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.57 64.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.11 0.481 . . . . 62.45 110.62 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.919 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.7 mt -91.52 -27.3 18.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.526 -0.761 . . . . 74.32 111.823 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.132 -0.485 . . . . 62.22 111.181 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 1.8 p-10 -83.13 96.09 8.29 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.795 -0.817 . . . . 65.41 108.795 171.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.1 mtm -59.21 -30.8 68.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.58 -1.191 . . . . 65.33 112.039 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.42 -12.19 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.404 0.621 . . . . 72.31 109.606 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.567 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 66.3 t30 52.2 71.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.68 -1.146 . . . . 73.22 111.593 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -87.59 -16.33 34.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.269 -0.878 . . . . 54.42 109.453 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.71 34.59 48.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.704 -0.76 . . . . 62.33 112.308 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 82' ' ' ARG . 22.8 mtt180 -140.13 -21.99 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.851 0.315 . . . . 65.42 111.851 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 ptp 45.79 -164.74 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.102 0.876 . . . . 74.32 111.593 -168.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 16.9 t70 -176.76 179.78 1.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.675 -1.232 . . . . 60.11 107.675 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -72.28 -24.57 61.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.773 -0.454 . . . . 61.32 109.773 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.35 -52.92 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 63.42 109.891 175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 90' ' ' ILE . 16.3 mp0 -68.01 -34.64 76.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.341 -0.391 . . . . 45.15 111.082 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.44 -28.26 69.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.74 -0.209 . . . . 70.04 111.0 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -62.63 -26.46 68.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 52.3 110.786 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.1 tt -98.03 -24.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 75.15 110.32 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.25 -33.38 56.04 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.935 -0.575 . . . . 44.23 111.556 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.442 ' SD ' ' HG3' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.07 -28.73 69.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.946 0.403 . . . . 73.54 110.937 -178.683 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD3' ' CE ' ' A' ' 112' ' ' MET . 53.2 tttp -71.58 -29.65 64.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.545 . . . . 61.15 109.768 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -26.17 53.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.067 -0.515 . . . . 53.34 111.125 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 71' ' ' ILE . 29.0 mm -61.98 -52.07 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.294 -0.632 . . . . 73.42 109.294 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -64.75 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 74.23 110.976 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.736 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.3 tp -59.92 -47.19 86.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 74.2 111.07 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.623 ' HD2' HD11 ' A' ' 71' ' ' ILE . 53.0 mttm -73.49 -33.53 64.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 71.44 111.407 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' SER . 79.7 mt -67.3 -30.84 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 74.42 110.502 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -74.07 -25.82 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.307 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.69 23.17 2.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.453 -0.88 . . . . 71.13 113.825 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.736 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 73.8 m-85 -102.63 149.53 24.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.691 0.757 . . . . 63.3 111.208 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -140.9 93.77 2.64 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.724 -1.126 . . . . 62.44 110.269 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 148.11 35.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.398 -0.819 . . . . 54.01 109.693 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 74' ' ' LEU . 91.7 Cg_endo -78.44 -162.19 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.52 2.813 . . . . 70.43 112.791 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.528 ' HA ' HD21 ' A' ' 74' ' ' LEU . 32.5 p -71.79 9.56 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 41.25 111.999 -175.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.06 94.97 6.04 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.547 -0.751 . . . . 75.33 111.429 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.919 ' HG ' HD22 ' A' ' 74' ' ' LEU . 13.5 mt -73.0 143.63 84.24 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.8 -0.445 . . . . 64.32 109.8 172.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 11.9 Cg_exo -71.95 152.26 57.3 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.252 1.968 . . . . 73.32 112.081 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_exo -67.76 -22.59 43.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.928 2.419 . . . . 72.31 112.468 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.62 -29.89 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 60.24 111.28 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 93' ' ' LYS . 79.3 mtp -81.68 -41.3 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 73.1 110.89 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.68 -27.11 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.118 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 . . . . . 0 C--O 1.236 0.364 0 CA-C-N 115.914 -0.584 . . . . 74.31 109.62 -171.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.706 0.289 . . . . 64.13 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.401 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 98.4 m95 -78.68 -25.63 44.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.39 . . . . 72.34 111.125 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.33 143.66 52.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 65.21 111.083 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -96.12 95.37 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 71.43 110.051 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -74.43 164.04 27.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.241 -0.89 . . . . 73.33 110.06 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.67 -33.81 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.964 0.411 . . . . 72.12 111.032 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.87 -46.22 91.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 72.44 110.62 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.97 -38.49 91.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.179 0.514 . . . . 74.0 110.07 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 25.1 ttp85 -67.88 -47.91 67.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.751 -0.659 . . . . 63.44 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.13 80.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 72.43 111.003 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' SD ' ' A' ' 92' ' ' MET . 13.3 tttt -62.15 -26.73 68.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 74.24 110.813 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 10.5 m-70 -58.26 -47.33 83.92 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.869 0.366 . . . . 74.11 110.279 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.78 -42.24 88.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 70.51 111.206 -172.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -61.65 -46.91 87.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.153 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.2 mt-30 -75.78 -38.64 58.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.365 . . . . 63.24 110.484 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.502 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 11.8 t80 -61.11 -41.98 97.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 53.02 110.076 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -55.31 -42.43 73.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.774 . . . . 73.33 110.347 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -75.59 -19.0 59.55 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.441 -0.8 . . . . 75.11 111.669 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.564 HD21 ' HD1' ' A' ' 57' ' ' PHE . 85.9 mt -76.19 -12.93 60.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.785 0.291 . . . . 72.42 111.785 -176.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.761 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 66.23 68.24 0.64 Allowed Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.616 0.572 . . . . 75.53 110.448 -174.58 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 43.7 Cg_endo -70.6 158.9 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.361 2.04 . . . . 73.34 112.039 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.9 mp -101.22 106.11 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.688 -0.856 . . . . 72.41 108.688 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t 65.93 -74.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.822 0.702 . . . . 64.14 110.447 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.71 27.66 0.24 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.67 -0.572 . . . . 45.05 111.67 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -146.01 165.99 27.41 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.919 0.39 . . . . 74.04 111.126 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.9 pt -143.7 -176.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.673 -0.694 . . . . 61.3 109.825 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -143.91 -179.36 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.252 -0.647 . . . . 71.12 109.252 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.98 62.04 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.565 -0.35 . . . . 52.22 113.575 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.64 -42.81 97.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 74.3 110.813 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.8 -42.32 41.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.699 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.91 86.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 63.12 111.943 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.754 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 14.6 ptm180 -60.9 -36.72 80.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 73.31 111.282 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.57 -33.05 75.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.53 -0.305 . . . . 75.22 111.002 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.564 ' HD1' HD21 ' A' ' 42' ' ' LEU . 68.7 t80 -60.16 -58.28 9.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 65.44 111.19 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.754 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 11.7 p90 -77.26 -22.5 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.169 -0.612 . . . . 65.22 111.37 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.5 -31.91 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 72.04 110.382 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -67.14 -9.55 41.04 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.742 -0.663 . . . . 61.05 111.964 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB2' HD21 ' A' ' 99' ' ' LEU . 90.0 p -70.35 -40.94 73.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 71.22 110.949 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.42 11.33 29.44 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.673 -0.775 . . . . 71.04 111.709 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.19 157.38 65.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.274 -0.269 . . . . 74.11 110.274 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.6 Cg_exo -67.22 152.76 79.02 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.703 2.269 . . . . 70.14 112.182 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 48.7 mt-30 -54.37 -45.7 99.23 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 112.974 0.731 . . . . 65.12 112.974 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 75.3 Cg_exo -52.62 -41.7 66.97 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.018 1.812 . . . . 73.42 112.47 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.18 -39.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 88.3 mt -58.38 -48.56 80.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.626 -0.715 . . . . 73.45 110.687 176.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.81 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.201 -0.909 . . . . 73.35 110.874 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.41 -41.16 73.31 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.302 -0.408 . . . . 61.03 110.871 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -54.74 -46.43 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.956 0.408 . . . . 74.24 110.079 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.825 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.7 t90 -66.14 -43.7 86.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.623 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.83 94.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.121 0.415 . . . . 40.41 112.121 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.848 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.3 mp -77.94 -34.33 51.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 72.42 111.325 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.34 -42.92 43.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 74.31 112.188 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.698 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 26.9 t0 -76.1 76.59 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.075 -0.713 . . . . 70.01 109.075 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.0 mtm -63.57 -30.56 71.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.121 -0.945 . . . . 72.23 111.495 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -84.99 -11.66 54.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.946 0.403 . . . . 75.32 110.01 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 56.97 49.77 13.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.543 -0.753 . . . . 74.13 109.096 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 36.7 t70 -78.09 -34.99 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.458 -0.792 . . . . 74.32 109.943 -176.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.825 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.99 2.57 71.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.611 -0.804 . . . . 61.22 111.709 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 52.1 mtp85 -117.63 -26.18 6.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.227 -0.486 . . . . 64.04 110.838 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.1 ttm 62.51 91.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.205 0.941 . . . . 74.11 110.163 -173.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.93 165.85 24.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.388 -0.597 . . . . 73.32 109.388 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 37.3 mm-40 -52.26 -25.99 10.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.39 0.515 . . . . 71.43 112.39 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.14 -50.45 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 73.51 110.311 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.698 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.3 mp0 -67.18 -36.82 82.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.055 0.455 . . . . 70.44 110.237 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 90.9 t80 -60.8 -33.51 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 64.22 110.391 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 t -59.1 -42.22 89.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.676 -0.693 . . . . 65.44 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 tt -89.36 -28.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.998 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.53 84.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.981 0.42 . . . . 74.2 111.107 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.504 ' SD ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 ttp -64.54 -29.75 70.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 73.12 110.53 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -85.79 -30.51 22.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.495 -0.775 . . . . 54.13 110.609 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.03 -39.71 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.117 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.1 mt -54.94 -43.82 70.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 73.23 111.217 -176.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -56.7 -45.91 81.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 62.22 110.97 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 3.8 mm? -80.25 -33.52 37.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.097 -0.501 . . . . 63.21 111.024 -177.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -63.16 -39.47 94.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.727 -0.215 . . . . 74.55 110.924 178.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 61' ' ' SER . 71.9 mt -65.12 -28.07 69.18 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.474 0.484 . . . . 53.34 110.959 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -79.33 -26.18 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 75.52 110.352 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.66 43.39 2.5 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.42 114.097 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CE1' ' HE2' ' A' ' 98' ' ' LYS . 4.1 p90 -86.3 169.46 12.95 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 117.488 0.644 . . . . 73.21 110.001 173.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -140.64 136.89 33.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.376 -0.829 . . . . 61.04 110.293 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HG ' ' HD2' ' A' ' 105' ' ' PRO . 20.0 tp -165.78 146.93 5.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.695 -0.854 . . . . 74.21 108.695 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HG ' ' A' ' 104' ' ' LEU . 33.5 Cg_exo -59.0 171.6 2.08 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 71.52 112.892 176.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.848 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 16.1 m -67.2 -17.25 64.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.596 -0.729 . . . . 74.51 110.94 -175.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.26 105.16 17.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.02 -0.536 . . . . 70.31 110.425 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.76 157.77 48.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.698 -0.683 . . . . 71.2 110.345 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 34.9 Cg_exo -58.77 152.52 56.25 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.571 2.181 . . . . 73.14 112.667 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.7 Cg_exo -69.73 -11.48 30.98 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.072 2.515 . . . . 73.31 112.654 -177.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.75 -32.99 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.129 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 112' ' ' MET . 71.0 mtp -82.88 -21.65 34.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 74.54 111.531 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -107.22 -24.8 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 73.14 110.699 -176.165 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.554 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 32.4 mm-40 . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.865 -0.607 . . . . 74.14 111.907 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.333 0.587 . . . . 71.04 109.72 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.563 ' O ' ' HG2' ' A' ' 112' ' ' MET . 92.3 m95 -83.87 -25.66 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.53 109.981 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 147.45 46.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.676 -0.693 . . . . 40.33 111.006 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mt -105.7 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.129 0.49 . . . . 71.11 110.41 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.98 -178.74 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.636 -0.711 . . . . 61.05 109.421 175.453 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 28' ' ' THR . 43.7 t -59.13 -44.01 90.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.327 . . . . 75.2 110.498 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.52 -41.9 98.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.516 . . . . 65.12 110.935 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.83 -32.85 72.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.015 0.436 . . . . 72.1 110.483 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -65.64 -50.36 65.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.205 -0.452 . . . . 65.21 109.928 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -24.36 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.648 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -56.63 -27.08 57.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.612 -0.722 . . . . 75.34 111.646 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -61.23 -34.22 74.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.857 0.36 . . . . 73.13 111.052 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.23 -50.09 75.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.696 -0.684 . . . . 73.44 111.604 -175.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -60.06 -39.24 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.538 . . . . 53.31 111.325 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -76.35 -40.9 50.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.814 0.34 . . . . 72.44 110.651 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' A' ' 49' ' ' ILE . 28.7 t80 -64.81 -38.91 92.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 72.13 110.413 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -59.55 -40.2 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 74.41 110.839 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 m -76.44 -18.15 58.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.551 0.574 . . . . 62.03 112.551 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -73.25 -12.46 60.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.33 110.772 -176.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 62.84 65.98 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.686 -0.688 . . . . 54.53 111.442 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.95 129.57 16.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.135 1.89 . . . . 74.35 111.121 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.3 mp -72.72 -72.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.795 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 14.8 m -102.62 32.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 72.01 110.845 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 7.56 61.95 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.884 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 37.5 p90 -149.46 169.45 20.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.911 -0.403 . . . . 73.03 109.911 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.96 -179.39 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 72.25 110.087 178.213 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -138.82 173.47 11.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.446 -0.343 . . . . 71.13 110.574 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.19 -35.22 64.2 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 123.272 0.358 . . . . 74.04 112.846 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.26 -48.66 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 73.14 110.788 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -38.94 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 73.2 110.509 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.66 37.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.742 -0.663 . . . . 71.42 110.593 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 55' ' ' ARG . 67.6 mtt-85 -58.7 -43.28 90.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 64.35 111.354 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.77 -43.16 94.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.303 -0.408 . . . . 72.43 110.479 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.34 -48.74 66.63 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.946 -0.57 . . . . 73.24 110.173 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 1.017 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.3 m-30 -53.04 -53.69 46.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.963 -0.562 . . . . 74.04 110.96 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -64.12 -39.95 95.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.651 -0.704 . . . . 54.03 111.146 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.98 -20.18 65.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.014 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.82 ' HB3' HD11 ' A' ' 99' ' ' LEU . 49.5 m -76.1 -12.73 60.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 53.01 111.03 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.62 36.14 5.18 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.684 -0.77 . . . . 64.31 112.964 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.5 143.77 47.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.808 -0.441 . . . . 74.05 109.808 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.618 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 Cg_exo -77.45 158.09 32.7 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.274 2.65 . . . . 62.2 112.333 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.51 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 53.0 mt-30 -53.26 -47.52 95.71 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 113.807 1.04 . . . . 65.42 113.807 -176.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.14 -19.15 40.09 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.089 1.859 . . . . 64.21 112.481 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.22 -31.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.988 -0.551 . . . . 64.22 109.987 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.017 HD22 ' HB3' ' A' ' 58' ' ' PHE . 44.9 mt -68.61 -49.42 59.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 74.3 110.309 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.74 67.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.163 -0.926 . . . . 73.01 110.602 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -44.15 92.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.469 -0.567 . . . . 73.23 109.469 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.754 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.1 mt -66.04 -48.47 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.504 . . . . 51.42 109.688 175.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.644 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 14.7 t90 -60.4 -45.69 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.923 -1.035 . . . . 62.22 111.73 -174.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.05 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 63.15 110.84 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 104' ' ' LEU . 15.6 mt -81.26 -30.9 33.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 75.32 112.018 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.2 -71.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.793 -170.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 9.0 p-10 -85.15 95.75 9.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.853 0.835 . . . . 72.4 108.774 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.9 mtm -51.62 -32.0 27.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.081 -1.418 . . . . 73.35 112.834 -175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.36 -13.27 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 71.44 110.823 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 52.66 67.98 0.9 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.486 -0.779 . . . . 73.31 109.555 -174.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -101.25 -29.01 12.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.105 -0.952 . . . . 54.04 109.746 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.644 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 84.86 19.87 58.84 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.561 -0.745 . . . . 63.42 112.511 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -122.56 -31.84 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.898 -0.178 . . . . 74.13 110.605 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.5 ptp 44.87 106.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.605 1.191 . . . . 72.43 113.361 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.1 171.6 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.468 -0.787 . . . . 74.13 109.369 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.92 -28.02 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.255 0.222 . . . . 74.1 110.665 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.47 -56.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 54.02 109.83 174.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.648 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 18.6 mp0 -62.65 -37.45 86.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 73.04 111.249 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.15 -28.97 68.56 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.173 -0.329 . . . . 75.44 110.702 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' HE3' ' A' ' 92' ' ' MET . 33.6 t -65.24 -23.11 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 73.52 110.925 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 108' ' ' LEU . 14.0 tt -105.4 -25.8 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.039 0.447 . . . . 54.14 110.562 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -69.2 -36.32 77.16 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.308 0.484 . . . . 53.31 112.308 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE3' ' O ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -66.77 -24.84 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.61 -0.268 . . . . 74.32 111.362 -176.118 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -69.99 -36.63 75.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.659 0.266 . . . . 73.24 110.343 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.1 tp -64.32 -39.42 93.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 72.53 110.527 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.441 HD11 ' HE1' ' A' ' 58' ' ' PHE . 37.9 mt -62.26 -46.61 96.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 64.04 109.741 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -58.27 -46.76 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.991 -1.004 . . . . 72.14 110.379 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.78 -38.51 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.835 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.536 ' HD2' HD11 ' A' ' 71' ' ' ILE . 40.3 mttm -66.85 -41.77 86.8 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.708 0.262 . . . . 74.24 111.708 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 61' ' ' SER . 64.4 mt -70.87 -20.49 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.069 0.461 . . . . 74.01 110.47 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -75.33 -26.75 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 64.12 110.08 172.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.75 19.58 6.86 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.898 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.51 168.57 10.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.459 0.647 . . . . 72.51 111.542 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -147.08 149.02 32.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.175 -0.92 . . . . 74.42 109.791 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 109' ' ' PRO . 19.3 tp -143.01 146.11 35.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.594 -0.891 . . . . 71.15 108.594 -178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.539 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.2 Cg_endo -85.08 -168.05 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.017 1.811 . . . . 74.31 112.248 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 p -73.89 -4.65 36.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.327 0.584 . . . . 61.32 111.076 -177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.66 99.82 12.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.381 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HD2' ' A' ' 109' ' ' PRO . 3.5 tt -71.08 139.16 84.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.862 -1.162 . . . . 64.13 107.862 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.83 ' HD3' HD21 ' A' ' 104' ' ' LEU . 17.2 Cg_exo -69.91 150.22 66.98 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 121.596 1.53 . . . . 65.15 112.443 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.43 -7.14 16.8 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.676 2.251 . . . . 75.45 111.714 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.57 -22.56 8.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 61.43 110.041 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 65.6 mtp -92.56 -46.67 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 64.11 110.468 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -79.16 -18.93 52.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 73.41 110.316 177.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 47.4 mt-30 . . . . . 0 C--O 1.234 0.261 0 CA-C-N 115.472 -0.785 . . . . 74.54 112.014 173.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.527 0.203 . . . . 70.23 110.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.84 59.42 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.542 -0.837 . . . . 71.24 113.493 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 m80 67.06 156.48 0.11 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.866 0.841 . . . . 62.11 113.086 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -174.32 154.91 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.63 -1.168 . . . . 62.12 108.427 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -157.17 117.74 3.56 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.878 -0.329 . . . . 73.52 111.044 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -138.18 92.22 2.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.157 -0.474 . . . . 53.31 110.592 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -82.41 80.37 8.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 71.01 109.451 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -92.07 110.77 22.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.649 -0.705 . . . . 71.53 110.124 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -107.03 97.84 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.773 -0.649 . . . . 70.31 109.94 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -134.48 121.62 21.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.139 -0.482 . . . . 72.52 109.953 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.6 ptp -159.18 140.99 13.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.595 -0.729 . . . . 75.42 109.779 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 -75.6 0.27 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.38 -0.6 . . . . 64.45 109.38 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 77.8 mt-30 -144.74 155.56 43.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.395 -0.965 . . . . 74.42 108.395 171.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 87.4 t80 -101.93 104.33 35.07 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.47 -0.492 . . . . 70.43 110.226 173.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.621 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 1.3 Cg_endo -85.57 138.75 6.41 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.152 2.568 . . . . 62.15 111.346 175.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -88.3 102.02 3.31 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.644 0.259 . . . . 62.41 110.649 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.621 ' HD3' ' O ' ' A' ' 15' ' ' PRO . 72.0 Cg_endo -91.48 -22.04 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.628 2.219 . . . . 63.12 113.535 -175.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 56.44 37.1 28.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.12 0.486 . . . . 73.15 110.716 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.64 40.98 0.95 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.624 -0.716 . . . . 71.34 111.978 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.35 53.64 3.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.118 -0.563 . . . . 73.23 112.191 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -126.73 7.17 6.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.215 0.531 . . . . 43.04 110.463 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 tp -102.17 -18.51 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.673 0.749 . . . . 70.14 109.545 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.28 36.49 3.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.889 -1.05 . . . . 64.3 110.502 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.6 m -50.61 -52.58 38.05 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.467 0.543 . . . . 70.5 112.467 -175.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -115.64 22.95 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.364 0.602 . . . . 71.24 112.028 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.83 150.91 50.13 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.42 -0.809 . . . . 61.14 110.494 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG23 ' HB2' ' A' ' 31' ' ' GLU . 73.7 mt -92.55 109.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.329 0.585 . . . . 52.3 110.215 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.01 166.89 22.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.201 -0.909 . . . . 71.44 110.888 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.69 -24.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 72.42 109.748 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HB3' ' HE1' ' A' ' 14' ' ' PHE . 3.1 mp0 -64.24 -47.43 79.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.467 -0.788 . . . . 61.31 110.356 172.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 28' ' ' THR . 6.6 mm-40 -63.34 -36.33 83.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.418 0.628 . . . . 71.41 109.642 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -57.56 -42.31 82.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.192 -0.913 . . . . 75.5 110.209 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.83 57.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.042 -0.527 . . . . 63.12 111.013 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.58 ' HE2' ' CZ ' ' A' ' 14' ' ' PHE . 42.6 mmtt -58.74 -33.72 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.881 0.697 . . . . 71.42 112.881 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -27.45 67.82 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.675 -0.41 . . . . 73.04 111.693 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.06 -42.99 55.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.229 -0.442 . . . . 73.01 110.95 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -66.85 -41.09 87.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 71.24 110.518 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 65.0 mm-40 -69.41 -36.82 77.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.765 -0.457 . . . . 70.32 109.765 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.822 ' HA ' HD12 ' A' ' 42' ' ' LEU . 52.5 t80 -61.76 -37.19 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.793 -0.64 . . . . 73.12 110.113 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.43 -41.98 86.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 74.24 109.927 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 m -76.23 -17.05 59.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.454 -0.794 . . . . 51.04 112.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 49' ' ' ILE . 53.4 mt -69.6 -4.4 19.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.102 0.408 . . . . 51.01 112.102 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 mttt 59.27 61.49 4.4 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.674 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 33.3 Cg_exo -57.54 139.55 90.52 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.192 1.928 . . . . 73.44 111.986 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.6 mp -71.14 -57.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 63.01 110.303 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.46 ' HB2' ' HE1' ' A' ' 48' ' ' PHE . 19.3 m -141.27 51.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.966 -0.561 . . . . 64.02 110.335 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.08 3.8 72.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.872 -0.68 . . . . 64.24 111.726 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 46' ' ' SER . 44.2 p90 -142.76 161.25 38.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.079 -0.341 . . . . 72.04 110.079 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.857 HD13 HD13 ' A' ' 42' ' ' LEU . 25.9 pt -115.55 -164.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.007 -0.542 . . . . 64.51 110.05 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -155.93 167.93 28.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.963 -0.562 . . . . 71.23 109.573 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.48 -23.19 62.33 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.479 -0.391 . . . . 62.23 112.809 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -73.15 -38.25 66.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 64.33 110.233 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.72 -34.04 62.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 65.32 110.113 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.48 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.678 -0.692 . . . . 41.23 110.913 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.663 ' HA ' HD21 ' A' ' 68' ' ' LEU . 14.6 ptt180 -60.48 -35.3 75.57 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.189 -0.46 . . . . 72.0 110.645 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -64.3 -53.43 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.424 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.53 -54.05 51.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.817 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.73 ' HB2' HD23 ' A' ' 68' ' ' LEU . 10.5 m-85 -64.17 -38.55 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 74.22 110.975 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -64.2 -43.47 94.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 72.12 109.711 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -64.48 -19.68 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.939 -1.028 . . . . 63.41 110.945 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 m -76.13 -5.54 47.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.5 . . . . 43.11 111.208 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.51 32.89 5.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 32.54 112.917 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 34.1 mt -110.52 144.17 29.66 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.528 0.204 . . . . 75.52 110.563 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 28.3 Cg_exo -62.99 153.02 76.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.961 2.44 . . . . 52.35 112.169 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.551 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.5 tt0 -58.46 -47.23 99.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.036 -0.529 . . . . 71.23 112.286 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.3 Cg_endo -54.4 -41.34 77.54 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.026 1.817 . . . . 72.14 112.211 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.09 -45.3 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 44.4 110.358 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 58' ' ' PHE . 2.3 tm? -57.56 -48.6 78.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.313 -0.858 . . . . 60.03 110.732 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.67 79.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.497 . . . . 71.21 111.244 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -42.9 78.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.024 -0.535 . . . . 70.21 110.008 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.62 -42.97 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.488 . . . . 73.44 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -64.56 -40.1 94.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.844 0.354 . . . . 72.31 110.549 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.84 62.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 70.31 111.425 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 94' ' ' LEU . 3.6 mt -94.54 -25.04 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 63.23 111.668 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.85 -71.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.369 0.507 . . . . 61.14 112.369 -173.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.643 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 5.0 p-10 -90.74 95.32 10.08 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.237 0.541 . . . . 75.32 109.84 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -49.19 -35.7 17.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.035 -0.984 . . . . 65.42 112.48 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -78.94 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.841 0.353 . . . . 75.41 110.692 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.643 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 66.6 t30 50.44 71.67 0.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 73.34 109.811 -170.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.4 -19.03 28.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.971 -1.013 . . . . 61.12 109.743 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.43 -15.3 46.5 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.515 -0.766 . . . . 71.23 112.489 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -97.42 -40.61 8.61 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.66 -0.318 . . . . 71.43 110.828 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.7 ttm 60.73 93.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.259 0.974 . . . . 72.01 109.938 -171.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.4 t0 -74.27 166.57 23.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.489 -0.56 . . . . 74.22 109.489 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.61 -19.5 49.41 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.047 -0.524 . . . . 74.42 111.401 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -56.49 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 63.22 110.202 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.6 mp0 -61.33 -42.62 98.98 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.946 0.403 . . . . 75.51 110.523 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CE1' HD11 ' A' ' 42' ' ' LEU . 70.7 t80 -60.83 -29.2 69.35 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.006 -0.278 . . . . 72.52 111.056 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 t -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 73.42 110.997 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 87' ' ' GLU . 16.2 tt -97.11 -25.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.092 0.473 . . . . 54.1 110.014 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.68 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 51.0 111.969 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 16.7 ptm -61.64 -30.36 70.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 65.11 111.333 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -72.25 -26.14 61.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.346 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -64.62 -44.36 90.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.623 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -58.3 -48.47 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.145 0.498 . . . . 54.22 109.722 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.613 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 87.3 tttt -63.08 -44.81 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.463 -0.789 . . . . 64.31 110.706 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.63 -43.56 89.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.471 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -71.96 -28.63 63.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.823 -0.351 . . . . 71.03 110.742 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.9 -8.33 55.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.338 . . . . 74.15 110.833 174.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 29.4 mm-40 -91.48 -1.4 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 45.22 110.026 173.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.1 61.55 1.08 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.916 -0.659 . . . . 74.51 112.072 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -143.7 171.49 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.381 0.61 . . . . 74.12 111.65 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.95 164.0 38.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.674 -1.148 . . . . 71.45 108.246 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 104' ' ' LEU . 2.0 pt? -159.93 158.91 27.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 121.094 -0.243 . . . . 73.14 111.257 -177.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.455 ' O ' HD21 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -75.41 -171.68 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.371 2.714 . . . . 75.3 112.485 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 p -83.24 5.17 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.351 0.596 . . . . 64.44 111.584 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.09 121.67 36.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.577 -0.738 . . . . 51.45 111.135 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 2.7 mm? -79.4 149.26 71.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.794 -0.447 . . . . 64.53 109.794 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 18.2 Cg_exo -66.63 151.58 82.44 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 121.94 1.76 . . . . 74.3 110.92 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 39.4 Cg_exo -62.71 -23.54 74.58 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.709 2.273 . . . . 63.45 113.02 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -30.33 42.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.304 0.573 . . . . 71.1 109.986 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.436 ' HG2' HG13 ' A' ' 90' ' ' ILE . 16.7 ttt -81.16 -25.55 36.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.339 -0.846 . . . . 75.1 109.504 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 109' ' ' PRO . 5.9 mmmm -76.2 -43.74 41.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.393 -0.821 . . . . 74.03 109.304 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' OE1' ' HB ' ' A' ' 27' ' ' ILE . 51.5 mt-30 74.05 -34.91 0.29 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.417 -1.265 . . . . 41.24 111.421 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 113' ' ' LYS . 62.6 tt0 -118.71 94.09 47.14 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 114.663 -1.153 . . . . 65.4 109.25 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.4 136.1 30.49 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.762 2.308 . . . . 71.0 112.173 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.0 m -89.83 154.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 74.34 110.789 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.8 34.76 0.98 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 73.21 110.75 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.1 mt -97.64 82.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.262 0.553 . . . . 62.4 110.224 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.7 m -144.85 -49.26 0.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.838 -0.619 . . . . 60.1 109.773 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.237 -0.887 . . . . 63.33 109.865 174.198 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.147 -0.316 . . . . 72.25 110.147 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.03 39.6 2.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.944 -0.646 . . . . 34.33 112.174 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -88.57 99.28 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.037 0.446 . . . . 55.43 110.092 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.43 135.16 35.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.873 -0.603 . . . . 74.24 109.695 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -63.47 101.63 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.151 -0.314 . . . . 63.32 110.151 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -118.44 85.84 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.75 -0.463 . . . . 75.31 109.75 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -175.45 114.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 70.41 110.285 -175.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -66.52 122.04 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.425 -0.954 . . . . 65.43 108.425 172.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -63.99 159.42 20.06 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.999 0.74 . . . . 70.11 112.999 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -140.94 90.56 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.769 -1.105 . . . . 71.05 109.709 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -155.02 120.48 5.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.272 0.558 . . . . 74.42 110.947 176.619 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.18 16.1 0.93 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.467 -0.788 . . . . 71.03 110.231 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -90.32 95.51 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.43 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 36.6 p90 -84.49 134.58 42.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 63.5 109.723 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 7.0 Cg_exo -72.23 136.4 26.67 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.418 2.079 . . . . 41.54 112.222 -178.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -81.69 112.03 31.0 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.58 . . . . 61.11 110.088 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG3' HG23 ' A' ' 29' ' ' VAL . 33.8 Cg_exo -58.5 139.75 91.92 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.419 2.746 . . . . 71.31 112.947 -175.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -121.94 110.63 16.08 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.131 -0.941 . . . . 54.32 110.077 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.04 163.9 45.77 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.818 -0.706 . . . . 74.24 111.746 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.41 -56.39 2.75 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.655 -0.783 . . . . 53.31 111.594 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -86.51 138.58 31.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.433 -0.58 . . . . 73.21 109.433 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.33 124.23 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.348 0.594 . . . . 65.11 110.759 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.82 31.76 0.84 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.417 -0.81 . . . . 65.34 110.381 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.62 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 14.4 m -61.85 -30.7 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.691 -0.686 . . . . 71.22 111.381 -175.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.497 ' HH2' HD11 ' A' ' 104' ' ' LEU . 38.6 m95 -113.82 9.28 17.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.335 0.588 . . . . 73.42 111.292 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 171.84 7.18 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.525 -0.761 . . . . 63.43 110.602 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HG2' ' A' ' 15' ' ' PRO . 87.6 mt -108.96 129.55 63.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.242 -0.435 . . . . 60.45 109.918 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.94 -178.47 4.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.725 -0.671 . . . . 72.44 110.691 -176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.771 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 48.6 t -68.91 -32.62 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.97 0.414 . . . . 73.21 110.861 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -30.13 67.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.035 0.445 . . . . 61.43 109.86 175.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -78.23 -38.06 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.878 -0.601 . . . . 72.21 109.841 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -64.53 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.268 0.556 . . . . 62.23 110.141 178.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.59 57.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.554 -0.748 . . . . 75.32 111.222 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.2 tmtm? -59.19 -44.66 92.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 31.2 p80 -76.34 -28.98 57.07 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 120.206 -0.598 . . . . 73.24 111.327 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.05 -43.37 73.75 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.407 0.442 . . . . 63.31 111.754 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -60.66 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 61.23 111.422 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.92 -33.58 51.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 72.22 111.151 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 49' ' ' ILE . 2.3 t80 -64.78 -34.23 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 33.01 110.367 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.27 -38.37 71.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 72.14 110.252 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -75.79 -16.18 60.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.45 -0.796 . . . . 63.44 112.28 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.586 HD11 ' HD2' ' A' ' 57' ' ' PHE . 70.4 mt -75.33 -11.34 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.545 0.212 . . . . 73.44 111.215 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.88 65.7 1.94 Allowed Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.57 . . . . 74.45 112.07 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.81 136.48 23.15 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.011 1.807 . . . . 71.42 111.011 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.9 mm -90.82 -77.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.815 -0.354 . . . . 54.52 111.402 -176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -111.57 48.18 0.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.025 0.44 . . . . 75.14 110.845 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 21.01 79.24 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.761 -0.654 . . . . 51.44 112.962 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.562 -0.375 . . . . 72.0 110.286 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.628 HD12 ' HZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -138.74 171.62 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.174 -0.676 . . . . 73.02 109.174 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -131.87 -164.97 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.693 -0.403 . . . . 53.52 110.787 178.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.682 ' H ' HG22 ' A' ' 50' ' ' THR . . . -51.34 -37.13 38.69 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 123.291 0.369 . . . . 74.0 113.699 -175.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.37 -50.29 71.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.205 0.526 . . . . 72.44 111.264 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.483 ' HB3' HD13 ' A' ' 42' ' ' LEU . 3.5 mp0 -66.84 -46.28 75.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 63.25 110.292 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.06 79.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 71.4 111.426 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 79.5 ttt180 -60.04 -47.4 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 62.14 111.184 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 38.3 m-80 -67.56 -31.65 71.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.565 -0.289 . . . . 61.22 111.163 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.586 ' HD2' HD11 ' A' ' 42' ' ' LEU . 50.8 t80 -58.68 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 72.41 111.548 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.734 ' HB2' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -79.33 -24.13 43.0 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.784 -0.766 . . . . 73.54 111.546 -175.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.86 -26.92 63.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.164 0.507 . . . . 75.41 110.003 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -63.69 -40.26 96.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 70.13 109.649 176.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -66.68 -20.05 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.53 . . . . 53.02 111.616 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.4 38.41 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.46 -0.876 . . . . 73.34 113.647 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 68' ' ' LEU . 54.2 mt -101.41 154.46 37.21 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.813 0.307 . . . . 70.15 110.357 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.59 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.4 Cg_exo -58.48 149.41 75.16 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.826 2.351 . . . . 74.01 111.861 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.8 tt0 -59.96 -46.76 98.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.749 0.648 . . . . 73.44 112.749 -174.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 9.8 Cg_endo -54.63 -40.77 82.62 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.916 1.744 . . . . 73.41 111.497 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.851 HG13 ' HE2' ' A' ' 98' ' ' LYS . 50.6 t -62.2 -44.31 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.317 -0.856 . . . . 61.13 110.812 175.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.734 HD22 ' HB2' ' A' ' 58' ' ' PHE . 84.1 mt -63.15 -53.47 52.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.722 -0.672 . . . . 54.11 111.105 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.88 70.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 53.24 110.984 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -69.42 -37.61 77.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.538 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.881 HD13 HG12 ' A' ' 95' ' ' ILE . 26.9 mt -62.84 -38.83 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.9 -0.407 . . . . 64.35 109.9 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.427 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 19.1 t90 -66.66 -45.2 79.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 72.2 110.522 177.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -19.28 65.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.451 0.643 . . . . 71.12 110.46 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.825 HD22 ' HG ' ' A' ' 108' ' ' LEU . 10.8 mt -91.71 -27.2 18.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.229 -0.896 . . . . 74.32 111.771 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.55 -71.53 0.18 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.94 0.4 . . . . 65.35 110.884 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 96.69 6.16 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 107.601 -1.259 . . . . 52.35 107.601 169.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.7 mtm -54.25 -30.12 49.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.238 -1.346 . . . . 42.25 113.046 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -85.3 -1.34 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.038 -0.414 . . . . 73.43 110.195 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 55.07 77.42 0.21 Allowed 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.707 -0.849 . . . . 53.52 108.707 -169.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.12 -23.88 24.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.807 -1.088 . . . . 75.25 109.08 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 75.81 28.8 60.28 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.455 -0.793 . . . . 41.15 112.932 174.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 83' ' ' MET . 34.1 ptt180 -165.45 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 64.53 110.502 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.517 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 7.1 ptp 58.65 177.39 0.07 Allowed 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.43 -1.259 . . . . 73.33 112.531 174.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -134.09 -176.67 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.771 -0.825 . . . . 70.13 108.771 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.581 ' HB2' ' HG2' ' A' ' 11' ' ' MET . 13.1 mm100 -56.04 -29.96 61.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.02 0.378 . . . . 51.1 112.02 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.56 -44.32 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.981 -0.287 . . . . 71.23 110.979 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 19.4 mp0 -68.6 -37.89 80.19 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.417 0.627 . . . . 71.35 110.345 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.28 -34.71 77.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.691 -0.686 . . . . 74.02 110.611 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -76.12 -17.8 59.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.969 -0.56 . . . . 73.11 111.58 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.417 HG13 HD11 ' A' ' 27' ' ' ILE . 12.0 tt -97.31 -40.46 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.768 -0.373 . . . . 72.42 111.407 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -27.48 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 51.43 111.81 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -28.48 68.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 53.33 111.838 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HE2' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -79.0 -29.37 43.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.924 -0.398 . . . . 61.23 109.924 -177.049 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 71' ' ' ILE . 21.3 tp -61.46 -45.67 93.3 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.096 -0.705 . . . . 63.34 109.096 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.881 HG12 HD13 ' A' ' 71' ' ' ILE . 47.8 mt -55.13 -45.31 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.994 -1.003 . . . . 74.15 111.057 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.49 -52.41 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.677 -0.692 . . . . 74.35 111.618 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.84 -26.34 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.938 -0.305 . . . . 72.25 110.864 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.851 ' HE2' HG13 ' A' ' 67' ' ' VAL . 67.4 tttt -64.65 -28.76 69.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.452 . . . . 65.31 109.922 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 95' ' ' ILE . 67.3 mt -60.17 -24.41 64.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.442 -0.799 . . . . 71.22 111.46 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -80.34 -9.19 59.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.47 -0.332 . . . . 73.42 111.096 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.6 54.1 0.41 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 74.51 112.514 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -132.96 168.43 18.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.615 -0.513 . . . . 74.41 109.615 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.81 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 90.9 mt-30 -136.4 -51.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.329 -0.148 . . . . 74.44 111.144 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.497 HD11 ' HH2' ' A' ' 25' ' ' TRP . 7.4 mp 65.75 165.37 0.12 Allowed Pre-proline 0 N--CA 1.469 0.505 0 O-C-N 123.568 0.542 . . . . 75.12 111.543 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.5 Cg_endo -98.38 -164.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.3 2.667 . . . . 73.34 112.938 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.6 m -81.79 6.64 14.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 71.55 111.344 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.44 109.56 20.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.771 -0.65 . . . . 73.24 110.922 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.825 ' HG ' HD22 ' A' ' 74' ' ' LEU . 35.5 mt -74.4 146.26 83.74 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.267 -0.424 . . . . 71.34 110.834 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 13.9 Cg_exo -70.22 152.8 67.09 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.332 2.022 . . . . 54.34 111.53 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.24 -4.91 16.17 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.661 2.241 . . . . 73.34 112.451 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.2 t -83.17 -30.73 8.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.984 -0.553 . . . . 73.02 110.911 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 72.2 mtp -76.42 -38.15 55.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.379 . . . . 74.54 110.483 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.48 -20.95 25.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.102 -0.499 . . . . 74.03 110.461 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.81 -169.19 0.19 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.585 -0.734 . . . . 64.55 110.791 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -112.48 99.49 47.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.948 -0.39 . . . . 71.14 109.948 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.63 134.24 34.66 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.999 2.466 . . . . 74.05 112.519 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.9 m -120.76 114.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.593 -0.73 . . . . 73.44 110.8 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -106.89 -24.52 12.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.62 . . . . 65.5 109.884 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.3 mt 61.04 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.238 -0.892 . . . . 70.04 110.467 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 m -153.53 116.96 4.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.8 -0.636 . . . . 72.22 110.124 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.604 -0.713 . . . . 51.12 109.807 178.912 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 tpp . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 109.816 -0.439 . . . . 75.21 109.816 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.01 -4.94 30.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.518 -0.849 . . . . 62.32 112.276 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -81.2 64.44 5.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 44.42 109.721 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.63 97.72 5.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.506 -0.77 . . . . 63.5 109.877 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -141.11 94.22 2.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.214 -0.448 . . . . 72.24 109.966 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -164.34 97.74 0.8 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.887 -0.597 . . . . 65.03 109.757 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -109.39 -44.59 3.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.93 -0.577 . . . . 73.14 109.974 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -157.47 103.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.813 -0.81 . . . . 60.4 108.813 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -137.92 176.94 8.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.772 0.32 . . . . 71.13 111.15 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.65 157.9 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.8 -0.637 . . . . 75.13 110.488 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 153.03 21.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 72.14 110.383 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.54 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.622 0.249 . . . . 72.21 111.653 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 60.81 -163.31 0.25 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.687 -0.688 . . . . 55.54 112.704 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.797 ' HD1' ' HE ' ' A' ' 32' ' ' ARG . 56.3 m-85 -136.12 142.78 41.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 74.32 109.857 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 26.7 Cg_exo -63.66 152.28 81.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.502 2.135 . . . . 62.24 111.274 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.766 ' H ' ' HD2' ' A' ' 17' ' ' PRO . 15.0 m -125.08 -52.1 0.03 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 112.454 0.538 . . . . 51.3 112.454 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.766 ' HD2' ' H ' ' A' ' 16' ' ' THR . 56.3 Cg_endo -69.59 160.2 50.65 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.812 1.675 . . . . 64.51 112.591 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -138.97 178.0 7.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.606 -0.724 . . . . 74.31 110.222 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.96 -171.55 24.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.529 -0.843 . . . . 44.43 112.291 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.37 93.41 1.54 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.111 -0.566 . . . . 64.53 111.988 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 p -95.84 161.02 14.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.953 0.406 . . . . 63.23 110.747 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 22' ' ' LEU . 3.9 tt -81.77 -29.09 32.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.156 -1.053 . . . . 72.3 108.156 174.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.0 94.56 3.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.627 -1.169 . . . . 44.44 111.081 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -75.59 -27.83 58.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.855 0.836 . . . . 54.04 109.254 173.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.636 ' O ' ' HG3' ' A' ' 112' ' ' MET . 86.0 m95 -89.14 24.44 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.761 -1.109 . . . . 74.4 110.832 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.91 154.44 18.36 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.795 -1.093 . . . . 71.1 109.91 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.3 83.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.319 0.58 . . . . 52.21 109.577 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.548 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.66 -177.16 3.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.092 -0.958 . . . . 54.34 110.886 -177.741 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.548 ' H ' HG22 ' A' ' 28' ' ' THR . 7.2 p -54.71 -47.32 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.53 0.567 . . . . 53.32 112.53 -176.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -48.55 76.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.787 0.327 . . . . 62.33 110.164 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -50.77 70.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.59 -0.732 . . . . 61.0 109.643 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.797 ' HE ' ' HD1' ' A' ' 14' ' ' PHE . 5.8 tpt180 -64.72 -41.62 95.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.879 . . . . 61.52 111.156 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.01 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.463 0.173 . . . . 72.23 111.318 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -57.56 -25.91 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 63.54 112.023 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -56.32 -35.77 67.94 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 120.773 0.321 . . . . 64.23 110.309 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.95 -50.09 63.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.803 -0.635 . . . . 73.14 110.909 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -62.66 -49.12 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 74.11 110.824 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.24 -34.76 76.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 73.03 111.349 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' HE1' HD12 ' A' ' 49' ' ' ILE . 56.5 t80 -64.18 -40.44 96.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 73.05 110.651 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.85 -38.5 86.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.081 0.467 . . . . 73.03 110.054 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -76.51 -18.08 58.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 63.41 111.474 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -65.12 -17.86 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 72.03 110.771 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? 65.64 72.51 0.45 Allowed Pre-proline 0 C--O 1.234 0.275 0 N-CA-C 108.653 -0.869 . . . . 60.43 108.653 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.71 138.7 87.37 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.594 2.196 . . . . 71.13 112.441 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.75 91.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.365 -0.834 . . . . 74.42 109.155 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 61.21 24.29 14.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.983 -0.553 . . . . 62.03 111.775 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.32 11.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.344 -0.931 . . . . 61.32 113.738 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -130.13 169.6 15.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.55 0.675 . . . . 74.14 111.292 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.717 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.63 -177.42 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.58 -0.526 . . . . 63.35 109.58 177.347 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 t -161.53 177.84 9.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.763 -0.198 . . . . 73.41 110.484 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.64 68.26 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 116.193 -0.458 . . . . 74.45 113.27 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.82 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 73.44 111.289 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 11.0 mm-40 -72.62 -33.51 66.71 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.632 -0.427 . . . . 73.51 110.239 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.73 29.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 73.31 110.737 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -59.3 -40.71 87.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.557 -0.292 . . . . 75.3 111.305 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -66.8 -53.28 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 63.24 111.119 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CG ' HD22 ' A' ' 42' ' ' LEU . 54.5 t80 -65.02 -48.12 75.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.356 -0.384 . . . . 75.24 111.034 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.859 ' HB3' HD22 ' A' ' 68' ' ' LEU . 2.1 m-85 -59.25 -41.91 89.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.37 -0.377 . . . . 64.01 110.528 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.89 -41.2 97.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.193 0.52 . . . . 75.21 110.132 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -74.73 -5.19 41.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.751 -0.659 . . . . 73.3 110.583 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -84.14 -8.04 59.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 75.15 110.666 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.66 5.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.526 -0.845 . . . . 72.11 112.761 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 67' ' ' VAL . 78.0 mt -129.65 143.45 49.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.235 -0.283 . . . . 73.32 110.235 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 66.7 Cg_endo -76.21 163.69 32.29 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.582 2.188 . . . . 75.15 113.014 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -50.91 -52.12 60.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.292 -0.867 . . . . 73.12 112.996 -175.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 53.0 Cg_exo -54.5 -36.3 88.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.104 1.869 . . . . 65.32 112.489 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 63' ' ' LEU . 63.4 t -72.32 -41.82 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.56 178.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.7 mt -61.22 -51.43 69.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 41.23 110.528 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.81 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.213 -0.903 . . . . 62.14 111.219 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.18 -39.96 95.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.39 -0.368 . . . . 63.42 111.005 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD23 ' A' ' 94' ' ' LEU . 97.7 mt -68.59 -44.63 82.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.156 0.503 . . . . 61.35 110.085 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.785 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.5 t90 -63.94 -42.67 97.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.755 . . . . 73.55 111.342 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -12.83 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.845 0.355 . . . . 75.14 111.206 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.894 HD22 ' HG ' ' A' ' 108' ' ' LEU . 22.8 mt -97.34 -38.38 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 63.43 111.993 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -62.98 -69.13 0.28 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.517 -0.311 . . . . 74.44 111.57 -169.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -83.91 95.62 8.56 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 107.645 -1.242 . . . . 74.1 107.645 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.492 ' SD ' ' HE3' ' A' ' 113' ' ' LYS . 48.0 mtm -52.94 -32.55 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.6 -1.182 . . . . 74.33 113.38 -173.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -77.89 -11.87 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.488 0.661 . . . . 74.23 109.704 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 49.17 76.17 0.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.587 -1.188 . . . . 64.23 111.059 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.7 -24.95 16.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.093 -1.412 . . . . 61.13 108.905 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.785 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 92.64 29.93 10.3 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.302 -0.863 . . . . 71.52 112.103 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 82' ' ' ARG . 12.1 ptm85 -125.45 -48.56 1.69 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.854 -0.339 . . . . 71.04 111.799 -175.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.587 ' HA ' ' HB2' ' A' ' 87' ' ' GLU . 12.2 ptp 43.14 74.91 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 65.44 111.455 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.99 -176.73 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.692 -0.855 . . . . 61.35 108.692 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.89 -39.3 53.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.053 0.76 . . . . 74.43 113.053 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.58 -48.6 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 118.023 0.374 . . . . 64.24 110.863 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 83' ' ' MET . 1.8 mp0 -66.12 -30.71 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.229 0.537 . . . . 70.51 110.891 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.99 -28.58 62.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.025 0.44 . . . . 72.42 110.682 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -66.78 -8.0 25.26 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.102 -0.499 . . . . 72.54 112.043 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 87' ' ' GLU . 10.9 tt -110.9 -20.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.086 0.469 . . . . 74.42 110.595 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.2 -36.26 58.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.02 112.278 -173.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -22.23 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.488 -0.324 . . . . 74.45 111.828 -174.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -69.08 -38.9 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 74.13 110.205 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' ILE . 9.0 tp -65.76 -40.86 92.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.088 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.9 mt -57.93 -47.32 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 73.2 109.998 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -55.37 -41.52 72.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.278 -0.874 . . . . 63.11 111.414 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.64 -34.28 19.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 63.42 111.448 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 8.1 mtpm? -71.32 -27.86 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.891 -0.323 . . . . 61.13 111.058 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.94 -12.39 59.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.004 0.43 . . . . 71.41 110.731 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.55 -5.45 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.372 0.606 . . . . 71.22 109.666 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.06 49.52 2.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.894 -0.67 . . . . 33.01 112.085 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.69 161.18 20.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.302 0.572 . . . . 73.12 111.623 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -136.13 150.48 49.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.722 -1.126 . . . . 63.13 109.958 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 22.2 tp -153.59 142.62 14.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 5.1 Cg_exo -81.7 -166.0 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.751 2.3 . . . . 73.42 111.893 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.665 ' HA ' HD21 ' A' ' 74' ' ' LEU . 69.9 m -79.9 14.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.213 0.53 . . . . 73.4 111.458 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.95 90.62 3.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.972 -0.558 . . . . 52.53 110.526 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.894 ' HG ' HD22 ' A' ' 74' ' ' LEU . 26.1 mt -67.65 144.59 97.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.449 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.6 152.31 78.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 121.981 1.787 . . . . 65.22 110.752 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.98 -20.92 72.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.79 2.326 . . . . 65.0 112.782 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.71 -31.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.222 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 25' ' ' TRP . 78.5 mtp -74.42 -44.87 49.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 70.51 110.457 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HE3' ' SD ' ' A' ' 77' ' ' MET . 14.7 ptmt -78.67 -12.78 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.208 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 64.6 -176.35 0.17 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.289 -0.869 . . . . 62.04 112.259 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.475 ' HB2' ' HD2' ' A' ' 116' ' ' PRO . 19.6 pt20 -156.82 162.68 27.14 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 115.924 -0.58 . . . . 72.24 109.867 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 115' ' ' GLN . 61.2 Cg_endo -74.85 156.68 43.68 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.21 1.94 . . . . 75.25 111.616 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 p -93.3 141.26 14.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.575 0.703 . . . . 72.11 111.225 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.64 106.7 11.2 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.849 -1.069 . . . . 44.42 110.249 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.8 tt -80.96 -31.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 71.31 110.227 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -149.11 139.25 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.916 -0.584 . . . . 54.14 109.769 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.367 -0.825 . . . . 64.22 109.358 178.562 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mtp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.754 -0.461 . . . . 62.03 109.754 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.12 -166.43 26.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 64.4 112.223 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -71.87 104.96 3.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.816 0.817 . . . . 73.41 111.217 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -141.2 125.84 17.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 75.3 108.498 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -80.84 52.1 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.022 0.439 . . . . 73.34 111.747 -171.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 66.89 8.22 5.89 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.423 -0.808 . . . . 65.21 112.853 168.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -83.92 -170.34 3.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.606 0.224 . . . . 71.32 111.606 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 61.1 m-70 59.13 73.56 0.48 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.74 0.65 . . . . 75.41 110.327 -171.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -84.49 24.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.581 -0.736 . . . . 73.51 111.113 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -83.75 81.4 8.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.173 -1.047 . . . . 74.2 108.173 170.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.36 132.35 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.589 -0.732 . . . . 71.22 111.863 -171.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' ' 116' ' ' PRO . . . -141.87 100.3 3.72 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 75.34 109.493 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.11 114.34 13.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.866 -0.606 . . . . 72.45 110.602 -175.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' HD2' ' HD3' ' A' ' 116' ' ' PRO . 36.3 p90 -102.87 150.8 38.12 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.13 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.88 136.23 52.01 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.559 2.173 . . . . 74.42 112.12 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -117.44 151.9 48.73 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.46 -0.791 . . . . 45.12 110.78 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.37 -170.37 0.81 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.597 2.198 . . . . 71.35 112.105 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -128.97 108.31 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.262 0.553 . . . . 63.1 110.672 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.11 92.8 0.1 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.93 -0.653 . . . . 71.0 111.936 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.4 129.12 1.5 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.862 -0.685 . . . . 53.53 112.147 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -97.43 -7.46 31.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 74.11 111.696 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.77 -5.25 15.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.138 -0.483 . . . . 70.31 110.491 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 8.7 m-20 -82.77 65.8 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.459 0.647 . . . . 74.44 110.33 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.571 HG22 HD11 ' A' ' 97' ' ' LEU . 21.8 m -81.65 -47.03 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 73.14 110.672 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.706 ' HH2' HD11 ' A' ' 104' ' ' LEU . 94.2 m95 -79.92 -21.62 43.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 74.43 111.028 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -66.51 134.33 52.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.817 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -81.03 99.22 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.273 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -71.37 166.8 20.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 63.24 110.387 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -50.84 -42.67 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 122.561 0.344 . . . . 74.44 111.488 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -62.69 -44.54 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 75.52 111.132 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 6.3 mm-40 -66.56 -31.67 72.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.209 0.528 . . . . 70.21 110.318 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.98 -47.82 67.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 74.33 110.287 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 62.45 112.222 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.802 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 17.6 ptmt -57.94 -26.69 62.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.662 0.245 . . . . 71.41 111.662 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.1 p-80 -60.08 -35.57 75.47 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.741 0.305 . . . . 71.34 110.302 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.03 -49.32 65.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.91 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.43 -46.21 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 72.13 110.772 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -41.01 89.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.773 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 12.6 t80 -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.971 -0.559 . . . . 61.53 110.27 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.12 -39.19 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.413 -0.812 . . . . 73.1 110.77 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -75.34 -19.02 59.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 63.42 111.617 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 53' ' ' GLN . 2.8 tt -78.13 -2.75 39.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.907 0.384 . . . . 73.22 111.177 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 65.42 74.43 0.38 Allowed Pre-proline 0 N--CA 1.466 0.375 0 CA-C-N 116.021 -0.536 . . . . 73.44 110.305 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.27 155.41 28.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.518 2.145 . . . . 74.53 112.535 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.04 117.74 55.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.537 -0.542 . . . . 74.3 109.537 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 64.12 27.39 14.08 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.635 0.584 . . . . 71.2 110.528 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.19 36.2 89.65 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.869 -0.681 . . . . 70.11 111.894 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -150.38 145.55 26.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.866 0.365 . . . . 72.03 110.411 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.6 pp -114.74 -172.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.976 -0.556 . . . . 75.4 109.837 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -151.81 179.41 8.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.901 -0.407 . . . . 63.22 109.901 177.482 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' THR . . . -57.94 -46.2 92.77 Favored Glycine 0 C--N 1.333 0.383 0 O-C-N 123.296 0.373 . . . . 72.43 113.868 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -60.44 -43.25 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.013 0.406 . . . . 65.02 110.689 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.612 ' HB3' HD21 ' A' ' 42' ' ' LEU . 14.2 mm100 -64.97 -37.86 89.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 61.45 111.168 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.29 70.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 71.32 110.712 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 48.0 mtp85 -59.71 -49.82 76.25 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.789 -0.641 . . . . 74.53 110.561 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -52.16 -45.96 65.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.791 -1.095 . . . . 71.31 111.52 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -61.91 -48.01 82.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 65.01 110.557 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CB ' HD22 ' A' ' 68' ' ' LEU . 12.3 m-30 -61.25 -34.6 75.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.467 . . . . 74.22 110.407 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.78 -36.54 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 64.21 110.31 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.48 -5.02 40.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.201 -0.454 . . . . 65.25 111.42 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m -90.23 -5.4 56.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.067 0.46 . . . . 54.51 110.935 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.05 18.26 44.03 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.913 -0.66 . . . . 73.41 112.752 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.733 HD22 HG11 ' A' ' 67' ' ' VAL . 85.4 mt -107.73 144.9 30.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 122.874 -0.192 . . . . 71.42 110.725 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 72.4 Cg_endo -77.3 163.94 29.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.963 2.442 . . . . 63.53 113.227 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 83.6 mm-40 -48.41 -52.81 40.24 Favored Pre-proline 0 N--CA 1.472 0.666 0 N-CA-C 113.353 0.871 . . . . 75.23 113.353 -175.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.9 Cg_exo -54.47 -36.67 88.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.182 1.921 . . . . 42.34 112.255 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 63' ' ' LEU . 54.1 t -72.71 -39.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.69 . . . . 73.23 110.472 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 24.1 mt -62.04 -54.6 39.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.932 -0.576 . . . . 73.31 110.347 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.31 75.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.128 -0.942 . . . . 61.24 110.928 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -68.11 -31.31 70.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.429 -0.35 . . . . 73.33 111.458 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.33 -47.29 60.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.874 -0.417 . . . . 71.21 109.874 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.456 ' HD1' ' HE3' ' A' ' 83' ' ' MET . 19.3 t90 -58.66 -57.08 14.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.61 -0.723 . . . . 71.42 110.658 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.85 57.75 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.563 0.539 . . . . 73.13 112.037 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.51 HD13 HD21 ' A' ' 94' ' ' LEU . 3.9 mt -86.76 -39.31 16.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.637 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -64.6 -52.88 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.895 -0.593 . . . . 60.35 111.487 -173.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -85.68 93.71 8.91 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.895 0.855 . . . . 51.24 108.703 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 ptp -59.49 -30.82 68.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.817 -1.083 . . . . 74.41 112.052 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -82.49 -7.63 59.63 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.723 -0.671 . . . . 63.21 110.492 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.9 t30 49.47 75.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.22 -0.9 . . . . 63.42 110.175 -172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.501 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 34.1 t70 -77.39 -32.61 54.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.917 -1.038 . . . . 70.42 109.835 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.09 -5.24 85.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.807 -0.711 . . . . 74.43 112.196 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 43.9 mtm180 -119.7 -46.5 2.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.239 -0.282 . . . . 74.44 110.239 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.75 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 44.6 ttm 70.43 115.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.371 1.044 . . . . 75.54 112.144 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.8 -174.69 3.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.484 -0.78 . . . . 65.31 109.084 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.36 -25.38 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.634 0.235 . . . . 73.42 111.634 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' HB ' ' OE1' ' A' ' 87' ' ' GLU . 58.7 t -67.91 -57.04 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.727 0.299 . . . . 61.15 110.323 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.75 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 1.6 mp0 -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 63.55 110.227 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HZ ' HD13 ' A' ' 42' ' ' LEU . 23.5 t80 -68.86 -28.9 67.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.905 -0.589 . . . . 62.23 110.466 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.1 m -68.99 -46.8 67.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.82 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.57 -29.71 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 72.13 110.633 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -65.46 -35.1 79.9 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.163 -0.472 . . . . 72.21 111.108 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.11 -15.05 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.965 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HG3' ' OE2' ' A' ' 31' ' ' GLU . 64.6 tttp -91.03 -34.12 15.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.454 -0.498 . . . . 73.5 110.162 176.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.51 HD21 HD13 ' A' ' 74' ' ' LEU . 1.1 mp -57.35 -35.79 70.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.357 -0.383 . . . . 63.24 111.645 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 58' ' ' PHE . 37.8 mt -57.42 -39.81 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 32.44 110.88 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 96' ' ' LYS . 49.7 mmtt -67.12 -43.69 81.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.274 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD11 HG22 ' A' ' 24' ' ' THR . 3.6 mm? -69.02 -37.2 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 54.53 110.129 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.567 ' HE2' HG13 ' A' ' 67' ' ' VAL . 16.8 tptt -61.96 -49.28 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.592 -0.731 . . . . 55.33 110.715 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.3 mt -67.64 -25.69 65.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.419 -0.81 . . . . 74.01 112.341 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.94 0.28 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.562 0.578 . . . . 74.31 112.562 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 135.98 -14.87 4.06 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 119.326 -1.416 . . . . 75.35 114.396 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 94.4 m-85 -87.91 159.54 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.485 0.642 . . . . 74.11 110.493 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -137.63 -34.15 0.7 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.013 -0.54 . . . . 64.34 110.809 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.706 HD11 ' HH2' ' A' ' 25' ' ' TRP . 6.5 mp 66.34 156.08 0.13 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-O 121.443 0.639 . . . . 71.21 112.584 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 8.4 Cg_endo -88.42 -163.23 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.478 2.785 . . . . 74.25 110.915 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -77.53 -0.75 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.219 0.533 . . . . 73.02 110.737 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.65 117.37 26.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.813 -0.63 . . . . 74.05 110.803 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HB3' HD22 ' A' ' 74' ' ' LEU . 2.9 pp -91.4 160.96 35.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 70.31 111.085 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 32.1 Cg_exo -59.93 152.41 64.6 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.709 2.273 . . . . 61.43 113.017 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 17.2 Cg_exo -68.47 -15.26 41.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.977 2.452 . . . . 71.53 112.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.52 -19.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 43.22 110.734 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.3 mtt -93.96 -47.58 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 72.35 111.361 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 12.2 ptmt -67.27 -38.94 85.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 73.3 110.554 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.454 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 82.4 mt-30 64.07 153.99 0.05 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.715 1.006 . . . . 63.22 113.715 170.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 28.5 tt0 -172.27 100.33 0.36 Allowed Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 114.818 -1.083 . . . . 73.13 110.45 175.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 12' ' ' ALA . 96.6 Cg_endo -80.94 -158.93 0.1 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.451 2.101 . . . . 71.2 110.696 172.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.86 138.11 20.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 70.34 109.537 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.2 84.87 0.66 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.329 -0.851 . . . . 60.34 109.452 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.6 tt -65.85 112.66 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 74.44 111.097 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -96.97 113.68 25.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.427 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.782 -0.628 . . . . 63.05 110.209 179.529 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.722 0.296 . . . . 61.13 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.02 151.42 10.26 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.381 -0.914 . . . . 71.51 112.067 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -82.53 162.77 21.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.031 -0.359 . . . . 65.41 110.031 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -83.41 -0.63 50.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.663 0.268 . . . . 72.53 111.053 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 74.65 -33.37 0.24 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.574 0.749 . . . . 74.13 112.74 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.19 114.24 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.046 -0.353 . . . . 75.41 110.046 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -155.51 160.28 40.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.02 0.438 . . . . 64.34 111.253 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -139.98 135.38 32.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.546 -0.752 . . . . 70.35 109.448 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 3.2 p -142.84 100.46 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.234 0.54 . . . . 72.21 112.002 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 148.36 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.773 -0.649 . . . . 72.41 109.848 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mmt -158.19 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.409 0.443 . . . . 73.34 110.674 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.3 -176.74 0.12 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.89 -0.596 . . . . 72.45 111.805 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 59.1 77.3 0.31 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.767 -0.652 . . . . 63.22 112.127 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.38 94.2 48.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.84 -0.618 . . . . 71.11 110.084 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -91.45 162.24 3.61 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.874 2.382 . . . . 72.41 112.349 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 t -76.3 133.42 71.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.606 -0.516 . . . . 75.11 109.606 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.43 136.43 39.82 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.65 2.233 . . . . 73.11 112.677 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -137.96 152.22 48.72 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.115 -0.948 . . . . 71.51 110.169 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.63 -60.66 4.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.327 -0.463 . . . . 72.43 112.069 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.69 159.59 15.42 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 121.016 -0.611 . . . . 61.13 112.038 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.3 m -85.3 89.72 7.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.832 0.349 . . . . 65.22 110.943 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -83.91 -22.86 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.697 . . . . 74.41 109.439 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -99.91 91.05 4.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.793 -1.094 . . . . 75.21 109.718 175.379 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 m -71.55 -33.74 69.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 75.01 111.791 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -92.59 10.54 29.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.506 0.67 . . . . 73.52 111.288 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.699 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -119.56 174.56 6.32 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.861 -1.063 . . . . 75.31 109.313 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 mm -103.96 102.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.516 0.674 . . . . 72.43 110.921 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -81.52 159.28 24.2 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.901 -1.045 . . . . 71.23 109.733 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 26.3 t -58.4 -22.97 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 43.01 110.228 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 44.5 tt0 -75.26 -43.86 49.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 74.43 109.677 172.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.89 -41.07 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.513 -0.312 . . . . 74.4 111.545 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 11.7 ptm180 -61.37 -37.51 83.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 72.03 110.237 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.12 -38.67 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.607 -0.724 . . . . 71.15 111.17 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 1.1 tmtm? -56.31 -41.7 76.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 54.31 110.886 -177.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 93' ' ' LYS . 46.8 m170 -64.1 -34.0 77.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 53.21 111.966 -174.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.5 -42.11 79.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.621 0.248 . . . . 64.32 110.743 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.46 -35.84 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 60.21 110.492 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -73.36 -50.94 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 72.23 110.004 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' HA ' HD23 ' A' ' 42' ' ' LEU . 24.8 t80 -60.09 -33.14 71.68 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.713 -0.676 . . . . 63.35 111.51 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -35.98 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.916 -0.584 . . . . 75.5 110.913 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -76.63 -17.23 59.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 34.35 112.306 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 39' ' ' PHE . 4.4 mm? -68.5 -7.53 33.06 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 64.33 112.208 -176.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mttt 64.04 62.4 1.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.434 -0.803 . . . . 73.03 110.86 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 15.7 Cg_exo -64.16 131.8 31.75 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.881 1.721 . . . . 73.3 111.464 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 tt -68.27 -36.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 64.3 110.792 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -152.77 -60.33 0.15 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.888 -0.782 . . . . 62.45 108.888 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 9' ' ' SER . . . -150.9 19.68 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.432 -0.804 . . . . 74.25 111.43 174.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 35.5 p90 -153.76 167.62 29.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.716 0.293 . . . . 64.21 111.036 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.12 -164.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.445 -0.798 . . . . 64.51 109.268 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 51' ' ' GLY . 2.2 m -140.6 171.09 14.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.056 -0.349 . . . . 74.32 110.056 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.583 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -52.66 -41.78 57.63 Favored Glycine 0 C--N 1.337 0.584 0 O-C-N 123.254 0.346 . . . . 51.0 112.696 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.67 -46.65 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 71.02 110.797 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.62 -40.01 86.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.865 -0.607 . . . . 70.04 110.614 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.45 46.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 35.1 110.959 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 23.6 mtt180 -59.76 -41.77 91.77 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.275 -0.421 . . . . 73.33 110.48 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -54.86 -46.93 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.545 -0.752 . . . . 63.51 110.967 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.94 -44.68 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 73.14 110.969 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 68' ' ' LEU . 9.8 m-30 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.012 0.434 . . . . 71.53 110.226 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -65.25 -40.94 94.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 73.42 110.501 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.86 -23.6 67.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.75 -0.659 . . . . 72.43 110.841 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.59 ' HB3' HD11 ' A' ' 99' ' ' LEU . 50.4 m -80.5 -7.69 59.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 45.43 111.199 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.36 4.32 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.658 -0.782 . . . . 54.11 112.787 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.667 HD22 HG11 ' A' ' 67' ' ' VAL . 87.2 mt -123.53 143.82 42.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.629 0.252 . . . . 64.43 110.397 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.4 Cg_exo -72.05 160.11 48.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.39 2.727 . . . . 75.11 112.327 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.621 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mp0 -56.22 -46.7 99.76 Favored Pre-proline 0 N--CA 1.469 0.501 0 N-CA-C 113.41 0.893 . . . . 73.45 113.41 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 50.8 Cg_exo -55.61 -30.04 73.04 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.928 1.752 . . . . 74.24 112.046 175.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG11 HD22 ' A' ' 63' ' ' LEU . 93.9 t -80.19 -33.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.796 -0.638 . . . . 73.42 110.23 178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 58' ' ' PHE . 15.6 mt -63.29 -52.59 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.504 0.669 . . . . 71.35 109.669 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.03 69.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.004 -0.998 . . . . 72.52 110.895 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -62.21 -40.03 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.145 0.498 . . . . 64.45 109.871 177.444 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.565 ' HA ' HD23 ' A' ' 94' ' ' LEU . 33.6 mt -70.2 -46.67 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.606 . . . . 64.51 110.305 176.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -66.33 -38.03 86.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 73.21 111.534 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -29.2 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.261 0.553 . . . . 71.54 110.443 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 105' ' ' PRO . 27.2 mt -82.77 -41.81 18.73 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.443 -0.798 . . . . 74.13 110.868 176.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -65.46 -48.31 73.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.591 -0.731 . . . . 62.41 112.289 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 35.6 t0 -75.7 73.79 2.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.54 0.686 . . . . 63.11 109.827 -176.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -67.68 -41.09 84.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 114.955 -1.02 . . . . 65.33 111.9 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -83.99 -10.08 58.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.451 -0.574 . . . . 71.21 109.451 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.621 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.1 t-20 52.7 70.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.628 -1.169 . . . . 70.34 110.715 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 8.6 t70 -96.15 -25.09 15.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.081 -0.963 . . . . 73.32 109.585 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.15 -23.63 23.11 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.896 -0.669 . . . . 64.03 112.039 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -115.17 -39.45 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.523 -0.547 . . . . 72.25 109.523 175.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 82' ' ' ARG . 3.7 ptp 64.09 173.01 0.18 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.748 1.28 . . . . 73.3 111.073 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -134.17 -175.68 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.39 -0.596 . . . . 72.21 109.39 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 27.6 mm-40 -59.39 -19.88 50.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.78 1.03 . . . . 64.03 113.78 -171.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.48 -56.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.773 -0.454 . . . . 74.12 109.773 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.601 ' O ' HG22 ' A' ' 90' ' ' ILE . 7.1 mp0 -65.17 -36.17 83.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.671 -0.695 . . . . 62.21 111.094 176.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CZ ' ' HG ' ' A' ' 42' ' ' LEU . 37.4 t80 -72.75 -28.07 62.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.425 -0.352 . . . . 74.24 111.551 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -55.6 -38.52 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 74.51 111.067 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 87' ' ' GLU . 18.4 tt -74.6 -22.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.011 0.434 . . . . 74.43 111.064 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -75.9 -32.48 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 71.02 111.471 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.563 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 10.6 mmt -69.9 -8.66 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.513 0.56 . . . . 72.44 112.513 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HE2' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -105.15 -15.11 15.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 70.02 110.628 178.287 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 71' ' ' ILE . 11.9 tp -77.43 -31.52 54.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.139 0.495 . . . . 43.01 109.775 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 71' ' ' ILE . 17.1 mm -54.15 -49.21 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.042 -0.981 . . . . 72.15 109.956 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -55.23 -50.96 68.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.347 -0.842 . . . . 75.33 111.016 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.501 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 32.4 tp -68.63 -44.51 74.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 72.4 111.404 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.64 ' HE3' HG13 ' A' ' 67' ' ' VAL . 28.3 mtpp -71.97 -28.67 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.922 -0.311 . . . . 72.41 111.447 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 61' ' ' SER . 25.6 mt -68.94 -16.16 63.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.598 0.237 . . . . 75.14 110.941 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -91.57 -4.74 55.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 73.13 110.394 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.62 53.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.972 -0.633 . . . . 72.51 113.016 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.501 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 96.5 m-85 -133.76 160.51 37.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.102 0.477 . . . . 70.12 111.025 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -154.39 151.62 29.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.783 -0.644 . . . . 61.34 110.342 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.4 tp -150.09 144.89 18.03 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.422 -0.584 . . . . 74.54 109.422 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.608 ' O ' HD21 ' A' ' 74' ' ' LEU . 52.0 Cg_exo -55.08 166.39 2.24 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.602 2.201 . . . . 60.41 112.507 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 p -73.71 0.68 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.083 0.468 . . . . 63.42 112.042 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.58 21.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.64 -0.709 . . . . 65.33 110.683 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 108' ' ' LEU . 3.4 mm? -75.25 144.14 77.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.651 0.262 . . . . 73.13 110.769 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' A' ' 112' ' ' MET . 35.5 Cg_endo -67.12 153.43 77.62 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.18 1.92 . . . . 71.23 111.316 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.37 -15.63 46.03 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.494 2.129 . . . . 70.03 112.419 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.37 -37.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 63.04 111.007 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.59 ' HE2' HG13 ' A' ' 90' ' ' ILE . 57.5 mmm -60.61 -44.24 96.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.354 0.597 . . . . 53.4 111.29 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -90.16 -17.29 27.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.555 -0.748 . . . . 72.33 110.125 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 62.38 176.82 0.14 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.162 -0.927 . . . . 75.44 110.906 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -124.85 102.91 31.34 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 107.931 -1.136 . . . . 72.31 107.931 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.08 118.23 2.28 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.552 2.835 . . . . 65.14 113.213 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 m -82.67 100.51 6.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.07 -0.968 . . . . 43.54 110.572 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.64 32.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.796 -1.093 . . . . 75.42 109.476 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.7 tt -53.65 111.55 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.78 0.8 . . . . 65.02 111.608 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.2 m -152.88 -171.18 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.999 -1.0 . . . . 53.12 109.295 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.124 -0.941 . . . . 62.23 110.345 178.026 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' SD ' ' HD1' ' A' ' 25' ' ' TRP . 59.0 mtt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.66 0.266 . . . . 44.12 111.157 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.23 56.95 5.0 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.861 -0.685 . . . . 75.53 112.91 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -103.23 97.91 7.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.332 -0.618 . . . . 63.02 109.332 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.44 98.8 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.61 . . . . 72.34 110.808 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -141.86 100.62 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.313 -0.403 . . . . 75.22 110.236 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -80.59 112.14 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 71.22 110.349 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -161.13 120.6 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.292 -0.632 . . . . 73.33 109.292 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.72 149.19 47.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.734 0.302 . . . . 70.23 111.425 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.524 ' OG ' ' HE3' ' A' ' 113' ' ' LYS . 64.2 p -163.95 167.38 20.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.195 -0.457 . . . . 65.04 110.621 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -113.8 144.67 42.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.127 -0.694 . . . . 72.12 109.127 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ptm -70.9 150.38 45.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.479 . . . . 62.34 111.175 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.1 -168.76 1.51 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.912 -0.585 . . . . 72.35 110.305 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.592 ' HG2' HH12 ' A' ' 32' ' ' ARG . 36.4 mt-30 -114.85 134.84 54.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.795 0.331 . . . . 61.11 110.196 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 49.3 m-85 -73.68 167.13 37.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.006 -0.543 . . . . 73.04 110.091 177.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 14' ' ' PHE . 56.2 Cg_endo -70.52 -162.92 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.325 2.016 . . . . 65.34 112.173 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 14.6 t -58.14 135.25 84.38 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.281 -0.418 . . . . 73.31 110.662 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 24.2 Cg_exo -65.29 79.14 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.317 2.678 . . . . 74.42 113.863 -175.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -140.26 122.37 15.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.034 -0.728 . . . . 74.41 109.034 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.68 -157.51 13.15 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.259 -0.972 . . . . 74.42 113.636 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.11 -42.04 0.53 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.091 -1.204 . . . . 53.44 110.091 -173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 m -101.21 148.66 24.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.692 -0.855 . . . . 61.14 108.692 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.29 141.19 38.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.995 0.426 . . . . 62.5 111.523 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -142.93 131.7 22.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.424 -0.954 . . . . 71.31 108.424 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -88.08 -40.15 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.926 -0.579 . . . . 71.5 112.206 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.448 ' HB3' ' CG ' ' A' ' 112' ' ' MET . 37.7 m95 -89.06 -17.11 29.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.369 -0.378 . . . . 70.01 111.618 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.52 125.79 24.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.655 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 90' ' ' ILE . 79.1 mt -93.49 108.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.155 0.502 . . . . 73.35 110.821 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 31' ' ' GLU . 2.8 m -77.35 168.32 20.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.532 -0.758 . . . . 71.4 110.069 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.16 -27.85 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 72.31 110.355 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.61 -53.4 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.571 . . . . 74.23 110.397 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HG2' ' HE3' ' A' ' 93' ' ' LYS . 2.0 mp0 -59.3 -35.73 74.31 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.733 0.301 . . . . 72.23 110.652 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.592 HH12 ' HG2' ' A' ' 13' ' ' GLN . 51.7 ttp180 -62.54 -44.07 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.306 -0.406 . . . . 75.12 110.367 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.6 66.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.113 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 21.0 mmtp -61.1 -25.87 67.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.054 0.761 . . . . 75.2 113.054 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 8.1 p-80 -55.8 -36.06 67.01 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.933 -0.395 . . . . 75.4 109.933 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.84 -48.55 76.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.723 -0.671 . . . . 74.11 111.487 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.52 -50.31 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 75.4 110.537 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.1 -32.76 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 64.34 111.086 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 10.5 t80 -70.91 -36.84 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.29 0.567 . . . . 73.21 109.936 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.506 -0.77 . . . . 63.24 110.386 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -72.01 -21.34 61.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.392 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -72.86 -15.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.41 109.916 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 63.18 71.66 0.63 Allowed Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.41 -0.814 . . . . 53.02 110.849 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.17 156.96 63.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.832 2.354 . . . . 75.22 111.875 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.3 mp -75.69 -63.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.022 0.439 . . . . 71.42 110.117 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -120.72 27.33 8.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.482 0.658 . . . . 62.12 110.444 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 2.16 64.29 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.767 -0.73 . . . . 54.44 111.305 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.77 163.25 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.941 0.4 . . . . 54.41 110.131 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.507 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 45.1 pt -135.95 -166.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 74.2 109.316 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -148.8 175.52 11.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.851 -0.426 . . . . 73.05 109.851 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.22 95.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.506 -0.378 . . . . 61.0 113.707 -172.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 37.1 t70 -62.98 -35.17 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.41 . . . . 72.11 111.271 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.4 -34.0 58.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.968 0.413 . . . . 72.24 110.515 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.83 77.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 62.31 111.722 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 17.0 ptt180 -60.73 -33.17 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.736 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.6 -40.79 93.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.882 0.372 . . . . 75.33 110.999 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.527 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . 61.8 t80 -64.41 -49.26 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.931 0.396 . . . . 72.41 110.845 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HB2' HD22 ' A' ' 68' ' ' LEU . 13.5 m-85 -66.24 -33.86 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 74.45 110.672 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 68' ' ' LEU . 57.3 t80 -65.6 -31.3 72.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.587 . . . . 74.12 109.8 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -11.93 60.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.584 -0.734 . . . . 55.2 110.193 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 m -84.75 -7.18 59.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 63.44 110.9 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.49 7.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 54.02 112.516 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 60.7 mt -117.25 144.52 34.0 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.599 0.238 . . . . 74.2 110.548 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 15.9 Cg_exo -68.27 152.67 75.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.017 2.478 . . . . 75.04 112.38 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.545 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.9 mp0 -54.44 -48.8 93.82 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.879 0.696 . . . . 65.35 112.879 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.1 Cg_exo -56.28 -30.19 79.47 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.86 1.706 . . . . 72.32 112.378 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 71' ' ' ILE . 57.7 t -81.05 -39.25 17.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 75.14 110.279 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 80.8 mt -55.25 -49.37 72.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 75.44 110.562 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.78 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.045 -0.98 . . . . 44.42 111.118 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -73.24 -41.0 64.21 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.419 -0.355 . . . . 75.34 110.738 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.719 HG21 HD11 ' A' ' 95' ' ' ILE . 2.3 mt -65.66 -46.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 64.4 110.718 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.657 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 23.4 t90 -62.8 -43.97 97.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.058 -0.519 . . . . 61.01 110.731 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.8 -12.55 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.435 . . . . 70.21 111.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.014 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.8 mt -95.55 -33.73 12.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.904 -0.589 . . . . 33.45 111.723 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.73 -70.65 0.22 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.381 -0.372 . . . . 71.44 110.663 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.773 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 9.5 p-10 -84.94 91.08 7.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.797 0.808 . . . . 75.23 109.153 174.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.7 mtm -55.06 -28.7 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.46 -1.245 . . . . 73.54 111.918 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -72.11 -12.5 61.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 75.12 110.625 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 52.62 66.25 1.28 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.764 -0.653 . . . . 73.13 109.417 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.57 -25.35 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.508 -0.769 . . . . 74.21 109.232 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.657 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 87.29 29.05 23.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.308 -0.86 . . . . 64.53 112.252 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -135.3 -40.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.536 0.198 . . . . 65.31 111.536 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 ttm 58.57 91.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.935 0.772 . . . . 72.1 110.811 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' H ' ' A' ' 85' ' ' GLN . 2.3 m-20 -82.64 -166.25 1.25 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.421 0.629 . . . . 60.2 110.987 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 13.1 mm100 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.407 -0.815 . . . . 64.11 112.645 -169.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.49 -36.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.097 -0.641 . . . . 73.31 110.441 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.773 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 3.3 mp0 -68.05 -41.53 81.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.439 . . . . 64.52 110.507 176.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD2' ' HD2' ' A' ' 39' ' ' PHE . 54.0 t80 -65.35 -30.45 71.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.757 0.313 . . . . 62.55 110.526 175.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.6 m -64.48 -43.65 93.48 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.046 0.45 . . . . 72.51 110.868 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 27' ' ' ILE . 16.8 tt -71.43 -19.58 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.046 -0.525 . . . . 75.43 110.957 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.47 -14.73 60.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 64.41 111.679 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.4 tpt -57.78 -41.5 82.16 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.014 0.435 . . . . 72.34 110.994 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 31' ' ' GLU . 28.3 mmtp -80.18 -26.05 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 74.44 111.225 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 71' ' ' ILE . 31.9 tp -73.47 -52.47 13.55 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.442 -0.345 . . . . 74.22 111.435 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.719 HD11 HG21 ' A' ' 71' ' ' ILE . 50.4 mm -56.94 -41.43 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.115 -0.493 . . . . 75.54 111.035 -177.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 52.3 tttp -62.12 -47.67 83.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 74.33 110.549 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 97' ' ' LEU . 4.4 mm? -71.45 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 73.52 111.64 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' HD11 ' A' ' 71' ' ' ILE . 18.5 mmtm -71.63 -36.34 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.395 . . . . 61.43 110.434 175.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.29 -11.46 59.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 71.51 110.682 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 16.0 mm100 -85.67 -11.64 53.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 70.4 111.022 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.71 -8.06 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.652 -0.785 . . . . 54.21 113.386 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -82.8 150.23 26.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.764 0.792 . . . . 75.44 111.173 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.59 167.18 14.27 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.883 -1.053 . . . . 75.2 110.235 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.8 mt -151.97 154.22 32.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.265 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.483 ' O ' HD21 ' A' ' 74' ' ' LEU . 2.8 Cg_exo -76.72 -163.61 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.43 2.753 . . . . 63.43 111.732 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.2 m -83.43 9.59 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 64.23 111.375 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.06 116.64 23.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.956 -0.565 . . . . 74.15 111.047 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 1.014 ' HG ' HD22 ' A' ' 74' ' ' LEU . 64.5 mt -83.65 146.21 49.34 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.243 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 18.9 Cg_endo -60.67 153.59 60.86 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.613 2.209 . . . . 71.33 112.086 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.709 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 25.8 Cg_exo -64.42 -9.23 19.42 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.168 2.578 . . . . 33.21 112.917 -178.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.9 t -80.02 -36.43 16.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 62.02 111.054 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.451 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 80.6 mtp -74.71 -51.41 14.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.202 0.525 . . . . 65.12 110.469 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.709 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -76.7 -14.91 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 72.12 111.079 -177.766 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 59.27 -167.43 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.339 -0.846 . . . . 74.45 112.834 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -117.87 121.97 31.08 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.805 -1.089 . . . . 72.33 108.942 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 9' ' ' SER . 44.0 Cg_endo -69.12 123.08 9.95 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.222 1.948 . . . . 70.33 111.68 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.39 84.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 122.222 1.011 . . . . 63.21 111.064 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 179.08 137.81 0.1 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.976 -1.466 . . . . 62.43 109.328 -175.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.7 tt -95.17 128.5 46.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.252 0.549 . . . . 73.01 109.809 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.7 m -93.44 158.56 15.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 55.45 111.477 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.25 1.097 0 N-CA-C 109.077 -0.712 . . . . 60.33 109.077 177.42 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' SD ' ' HD2' ' A' ' 44' ' ' PRO . 23.8 ptm . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.967 -0.383 . . . . 65.42 109.967 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.61 55.62 0.22 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.576 -0.821 . . . . 34.31 111.953 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 98.5 m-70 -110.14 110.67 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.576 -0.527 . . . . 63.11 109.576 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 73.5 m-70 71.96 125.29 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.795 0.684 . . . . 73.51 111.428 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -113.49 15.12 19.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.539 0.685 . . . . 63.13 110.033 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -81.71 98.62 8.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.14 -0.936 . . . . 73.24 110.061 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -131.88 101.36 5.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.457 -0.572 . . . . 72.12 109.457 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -129.01 -1.69 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.09 0.471 . . . . 70.05 110.46 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -84.19 83.44 7.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.05 -0.523 . . . . 74.11 110.319 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -77.94 120.01 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.907 -0.588 . . . . 73.33 110.377 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 47.7 ttm -153.44 82.51 1.18 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.237 -0.653 . . . . 62.3 109.237 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 78.09 1.4 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.552 -0.749 . . . . 54.41 109.736 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -134.11 24.01 3.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.082 0.944 . . . . 64.32 108.636 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 35.8 p90 -104.51 122.78 42.57 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.936 -1.029 . . . . 61.11 110.53 -177.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 4.2 Cg_exo -77.6 135.12 14.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.784 2.323 . . . . 45.42 111.485 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.414 ' O ' ' HD1' ' A' ' 18' ' ' PHE . 28.4 m -69.66 122.6 86.33 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 71.14 109.896 177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.92 94.13 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.585 2.19 . . . . 75.15 111.805 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HD1' ' O ' ' A' ' 16' ' ' THR . 2.4 p90 -111.23 138.74 47.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 72.25 110.947 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.45 48.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.095 -0.802 . . . . 41.22 111.095 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 106.83 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 O-C-N 123.856 0.386 . . . . 60.02 113.153 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 p -164.35 148.21 9.5 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 122.674 0.39 . . . . 61.4 109.997 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.4 mt 68.03 154.0 0.1 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.681 0.613 . . . . 72.25 111.577 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.817 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 20.0 m-20 47.07 70.71 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 72.13 112.053 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -74.09 -31.66 62.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.395 -0.82 . . . . 63.4 111.112 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -94.35 1.33 55.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 74.33 111.567 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.817 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -94.02 175.3 6.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.102 -0.499 . . . . 73.52 111.084 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -95.23 118.3 41.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 75.22 109.758 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -109.14 179.27 4.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 54.13 110.459 -177.119 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.502 ' H ' HG22 ' A' ' 28' ' ' THR . 45.1 t -61.15 -29.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.25 -0.648 . . . . 73.2 109.25 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.85 -59.18 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 72.45 110.506 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 93' ' ' LYS . 19.5 mp0 -54.17 -46.16 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.542 . . . . 70.12 110.473 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.35 -38.07 89.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.346 -0.843 . . . . 71.43 111.05 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -43.1 60.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 43.12 111.046 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 46.1 mmtm -67.26 -32.19 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.439 . . . . 73.13 110.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 34.8 t-80 -57.99 -55.35 36.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.092 -0.958 . . . . 74.22 110.758 173.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -55.33 6.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.443 -0.799 . . . . 63.4 112.901 -170.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -63.89 -42.81 97.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.482 0.549 . . . . 75.03 112.482 -172.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.2 mt-30 -73.95 -38.64 64.18 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.708 -0.397 . . . . 73.1 110.983 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 6.0 t80 -63.17 -41.77 99.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.72 -0.474 . . . . 72.33 109.72 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -60.79 -32.05 71.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.524 -0.762 . . . . 64.21 110.487 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -76.31 -22.32 55.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.634 . . . . 44.44 111.644 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HD1' ' A' ' 57' ' ' PHE . 97.8 mt -79.37 -10.43 59.81 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.7 0.286 . . . . 64.53 110.754 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 8.5 mtmp? 66.33 74.13 0.37 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.562 -0.744 . . . . 75.44 110.379 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 18.6 Cg_endo -60.43 139.91 88.87 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.719 2.279 . . . . 64.03 111.6 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.39 -75.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.782 0.325 . . . . 74.21 110.368 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -113.93 32.68 5.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.311 0.577 . . . . 54.25 110.744 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.85 -9.14 55.05 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.769 -0.729 . . . . 75.34 111.961 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.1 167.68 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.817 0.341 . . . . 71.44 110.294 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 53' ' ' GLN . 30.1 pt -118.23 -172.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.949 -0.76 . . . . 75.04 108.949 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.2 m -131.19 -174.11 3.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.99 -0.374 . . . . 74.05 109.99 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.712 ' H ' HG22 ' A' ' 50' ' ' THR . . . -53.05 -36.05 50.65 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 114.227 0.451 . . . . 64.35 114.227 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.36 -45.31 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.948 0.374 . . . . 74.03 111.013 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.587 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 13.1 mm-40 -74.28 -29.03 61.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.408 -0.36 . . . . 74.15 110.56 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.144 0.497 . . . . 74.0 109.944 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HD2' ' HE1' ' A' ' 58' ' ' PHE . 14.1 tpt180 -56.85 -50.47 72.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.839 . . . . 54.11 110.495 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -59.81 -37.74 80.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.631 -0.713 . . . . 53.15 111.099 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 42' ' ' LEU . 74.7 t80 -55.07 -52.68 62.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 72.55 112.127 -176.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' HE1' ' HD2' ' A' ' 55' ' ' ARG . 2.9 p90 -86.99 -20.71 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.046 -0.662 . . . . 75.51 111.831 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -66.61 -37.63 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 74.2 110.908 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 57' ' ' PHE . 29.6 pt20 -69.2 -9.2 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.382 -0.372 . . . . 53.35 111.683 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 t -80.35 -18.48 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 42.5 110.82 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.06 24.15 38.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 71.31 112.958 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG23 ' A' ' 95' ' ' ILE . 23.8 mt -91.96 150.39 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.784 0.292 . . . . 75.42 110.313 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.501 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.7 Cg_exo -57.84 149.52 68.88 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.913 2.409 . . . . 65.44 112.873 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.1 mp0 -53.94 -50.64 82.92 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.392 -0.822 . . . . 72.12 112.591 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 41.5 Cg_exo -57.85 -36.9 98.01 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.927 1.751 . . . . 52.05 112.236 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.702 HG13 ' HD3' ' A' ' 98' ' ' LYS . 95.6 t -66.97 -41.55 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 63.24 110.267 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 79.9 mt -62.67 -47.68 82.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 74.41 110.484 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.12 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.395 -0.82 . . . . 51.32 111.164 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 5.5 mm-40 -67.02 -41.21 87.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 55.14 111.233 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 95' ' ' ILE . 52.5 mt -62.05 -44.65 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 62.13 110.813 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.558 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.3 t90 -67.52 -47.62 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 73.21 110.819 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.08 -27.8 69.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.144 0.497 . . . . 73.53 110.966 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -76.69 -32.68 58.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.67 . . . . 64.21 111.111 176.162 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -62.93 -64.89 0.78 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.021 -0.536 . . . . 61.32 111.958 -172.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 4.7 p30 -85.84 99.85 11.66 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.946 0.879 . . . . 73.15 109.783 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.412 ' HG3' HD12 ' A' ' 108' ' ' LEU . 55.0 mtm -47.56 -30.07 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.305 -1.316 . . . . 71.54 112.805 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -90.19 -10.41 44.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.661 0.267 . . . . 75.24 110.941 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 58.87 75.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.815 -1.18 . . . . 65.52 107.815 -166.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.595 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 28.4 t70 -84.22 -38.73 20.18 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.922 -1.036 . . . . 72.14 109.349 -174.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.558 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.54 -4.75 82.44 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.603 -0.726 . . . . 64.02 112.607 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -108.12 -42.14 4.73 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.009 -0.277 . . . . 73.24 111.064 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.1 ttm 62.55 94.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.377 -0.828 . . . . 70.4 111.652 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -85.07 177.7 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.744 -0.836 . . . . 73.43 108.744 172.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -50.62 -34.81 27.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.398 0.518 . . . . 74.4 112.398 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.45 -57.09 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.998 -0.281 . . . . 72.13 110.788 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 1.9 mp0 -61.81 -33.31 73.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.275 0.559 . . . . 73.55 110.306 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.56 -46.01 84.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.429 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.0 m -65.42 -26.66 68.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.791 -0.64 . . . . 50.01 111.623 -175.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 108' ' ' LEU . 12.5 tt -92.68 -6.6 10.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 74.31 111.075 -176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -108.56 -28.94 9.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 53.34 111.422 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 35' ' ' HIS . 26.6 ptt? -56.61 -35.87 68.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 65.2 112.68 -173.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HB3' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -97.82 -5.64 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.265 -0.574 . . . . 71.4 111.433 -177.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 71' ' ' ILE . 21.4 tp -64.92 -36.43 84.34 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.848 -0.797 . . . . 74.54 108.848 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 71' ' ' ILE . 36.8 mt -54.52 -42.62 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.149 -1.387 . . . . 74.53 110.65 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.03 -44.15 97.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 75.22 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.56 -26.7 64.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 75.32 111.247 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.702 ' HD3' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -75.37 -34.0 61.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.499 -0.319 . . . . 64.05 110.315 176.322 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.51 -29.3 66.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.623 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.05 -11.35 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 64.22 111.537 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.09 40.55 16.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.832 -0.699 . . . . 62.4 112.765 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -96.42 178.07 5.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.032 -0.358 . . . . 75.51 110.032 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 97.2 mt-30 -61.67 159.76 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.472 0.653 . . . . 71.33 112.006 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -113.86 86.18 10.69 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 71.43 110.125 175.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 103' ' ' GLN . 4.8 Cg_exo -74.07 177.3 8.38 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.983 2.455 . . . . 50.23 112.936 -174.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 p -122.96 -1.03 8.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.568 0.699 . . . . 71.13 110.493 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -120.98 143.12 49.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.955 -1.02 . . . . 53.45 110.344 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.847 HD13 HD13 ' A' ' 90' ' ' ILE . 87.9 mt -87.16 147.74 43.29 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 63.23 111.006 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 9.3 Cg_exo -72.17 151.99 55.72 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.531 2.154 . . . . 71.22 111.835 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 7.6 Cg_exo -74.34 -11.79 22.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.947 2.431 . . . . 74.21 112.687 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 t -82.91 -31.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.71 -0.677 . . . . 63.33 111.371 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 90' ' ' ILE . 47.9 mtp -75.06 -29.27 60.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.922 0.391 . . . . 64.12 110.986 -177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -82.06 -16.25 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.442 -0.577 . . . . 75.12 109.442 174.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 66.3 -96.02 0.04 OUTLIER 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.155 -0.93 . . . . 75.32 112.125 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 35.9 tt0 -52.62 134.51 45.12 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.376 -1.284 . . . . 75.15 111.961 -175.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 115' ' ' GLN . 1.1 Cg_endo -80.21 122.02 4.56 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.812 2.342 . . . . 53.5 111.196 174.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.04 132.26 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 71.44 110.629 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -84.44 63.25 7.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 61.54 111.098 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.7 tt -142.69 109.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.535 -0.757 . . . . 70.13 109.961 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -146.54 162.08 39.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.749 -0.66 . . . . 63.13 110.175 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.945 -0.55 . . . . 73.12 111.185 -179.463 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.0 -0.37 . . . . 74.42 110.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.28 -82.9 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.889 -0.672 . . . . 74.5 111.636 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m170 43.11 75.8 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.563 0.745 . . . . 72.13 112.451 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -132.12 130.02 40.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.285 -0.87 . . . . 62.02 110.011 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -128.34 120.27 26.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.821 -0.627 . . . . 71.42 110.601 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.703 -0.681 . . . . 74.32 110.307 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -83.65 114.51 21.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.455 -0.339 . . . . 74.44 110.099 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -151.78 98.73 2.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.097 0.475 . . . . 75.42 111.38 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 t -90.27 165.01 14.16 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.122 -1.066 . . . . 74.11 108.122 168.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -105.84 111.1 23.63 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.448 -0.501 . . . . 72.35 109.981 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -64.48 105.35 0.93 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 71.22 110.168 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.55 83.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.599 -0.728 . . . . 63.03 111.781 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -100.98 87.7 3.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 71.1 110.417 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -115.32 104.37 53.56 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.771 -0.649 . . . . 64.52 109.564 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -77.12 127.4 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.568 2.179 . . . . 70.02 112.434 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -130.3 104.93 16.24 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.401 -0.818 . . . . 71.33 110.384 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -84.0 -178.24 3.43 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 122.793 2.329 . . . . 74.2 111.384 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -114.08 95.45 5.3 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.966 -0.561 . . . . 71.02 111.491 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.69 -81.5 1.46 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.258 -1.137 . . . . 72.02 110.258 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.64 13.29 68.38 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.375 -0.44 . . . . 54.14 113.719 172.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -107.8 24.81 12.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.046 -0.353 . . . . 75.24 110.046 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt 60.18 97.6 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.316 1.055 . . . . 74.53 108.371 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.75 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 25.2 m-20 -78.76 91.18 4.68 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 113.866 -1.515 . . . . 73.04 111.501 -167.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -110.81 -34.02 6.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.188 -0.915 . . . . 74.32 109.534 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.46 -16.03 53.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.693 -0.685 . . . . 74.25 110.259 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.75 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -79.23 162.72 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 64.11 110.875 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.5 mt -97.46 83.93 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.397 0.618 . . . . 61.21 110.563 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -67.94 163.85 21.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.49 -0.777 . . . . 72.4 109.193 174.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 13.2 p -55.37 -35.02 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.139 0.495 . . . . 54.43 110.719 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.78 -38.67 89.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.706 -0.679 . . . . 73.41 110.712 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 15.3 mm-40 -73.64 -30.46 62.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 43.23 110.617 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -57.03 -47.79 80.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.349 -0.611 . . . . 74.02 109.349 170.384 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -16.25 47.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.546 -0.752 . . . . 63.01 112.237 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 30.0 mmtm -60.42 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.734 0.302 . . . . 65.53 110.92 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 12.0 p-80 -76.87 -29.13 55.67 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.68 -0.408 . . . . 71.4 111.654 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.46 -44.46 71.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.75 0.31 . . . . 51.23 110.594 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -77.01 -54.85 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.14 111.86 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.89 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.967 0.358 . . . . 52.13 111.967 -174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' HE1' HG23 ' A' ' 49' ' ' ILE . 17.1 t80 -64.01 -37.91 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.213 0.53 . . . . 64.12 110.268 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.87 -35.11 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.767 -0.651 . . . . 64.32 110.051 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 24.3 t -75.92 -18.85 59.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.998 -0.546 . . . . 75.43 111.35 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -83.0 4.03 27.65 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.682 0.277 . . . . 73.43 111.025 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 41' ' ' SER . 12.0 mptt 57.63 77.65 0.4 Allowed Pre-proline 0 N--CA 1.463 0.214 0 CA-C-N 116.035 -0.53 . . . . 71.53 111.081 -177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 39.5 Cg_endo -71.91 137.67 29.91 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.008 1.805 . . . . 62.34 111.654 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.5 mm -93.79 110.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.025 -0.731 . . . . 54.53 109.025 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 68.65 -74.08 0.08 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.95 0.781 . . . . 72.22 110.609 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.63 31.66 0.17 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.261 -0.736 . . . . 64.1 111.261 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 38.5 p90 -152.58 173.79 14.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.869 0.366 . . . . 63.1 111.042 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 39' ' ' PHE . 22.0 pt -136.59 -169.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 55.5 109.711 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.5 t -147.85 167.88 23.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.998 -0.371 . . . . 73.42 109.998 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.92 -35.6 64.17 Favored Glycine 0 C--N 1.333 0.369 0 O-C-N 123.554 0.534 . . . . 60.3 112.521 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.22 -52.91 63.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.752 0.31 . . . . 65.44 111.293 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -64.15 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 55.21 110.543 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -55.5 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.574 . . . . 72.14 110.777 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -63.91 -33.99 76.94 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.517 -0.31 . . . . 74.34 111.017 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 25.7 t-20 -64.47 -49.56 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 64.22 110.566 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB2' HD21 ' A' ' 42' ' ' LEU . 61.8 t80 -62.55 -48.0 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 72.23 110.91 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.4 m-30 -57.48 -47.52 81.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 62.21 110.654 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -65.08 -32.18 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 61.34 110.996 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.9 -27.63 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 71.05 111.662 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.769 ' HB2' HD11 ' A' ' 99' ' ' LEU . 96.5 p -73.35 -24.2 60.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.99 0.424 . . . . 71.44 110.827 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.15 -1.18 20.97 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.942 -0.647 . . . . 74.31 112.416 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 67' ' ' VAL . 95.9 mt -80.78 142.6 52.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.588 0.232 . . . . 75.35 110.392 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 4.4 Cg_exo -83.22 169.59 12.63 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.485 2.79 . . . . 72.41 112.856 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.528 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.2 mp0 -48.86 -50.48 61.27 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 113.343 0.868 . . . . 72.04 113.343 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 52.4 Cg_exo -57.38 -16.99 25.0 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.396 2.064 . . . . 72.13 113.297 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 63' ' ' LEU . 44.5 t -98.3 -35.55 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 72.43 110.473 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 58' ' ' PHE . 27.2 mt -62.16 -56.49 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.647 . . . . 70.43 110.722 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.26 71.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.538 -0.756 . . . . 73.44 110.491 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -66.1 -39.49 90.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.896 -0.593 . . . . 74.35 110.882 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.1 mt -70.01 -44.17 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 62.43 110.154 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.49 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 24.2 t90 -62.37 -49.54 75.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 74.51 111.074 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.03 69.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 64.22 111.193 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -73.85 -47.68 36.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 74.52 111.04 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -82.59 -30.15 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 64.32 112.467 -172.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 79' ' ' ASN . 41.0 t0 -77.31 85.85 3.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.563 -0.532 . . . . 73.43 109.563 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -51.43 -53.16 39.74 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.29 0.848 . . . . 65.34 113.29 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -91.85 -6.76 51.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 75.41 110.575 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.608 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 66.7 t30 54.9 71.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 62.43 109.8 -173.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 3.8 t70 -78.38 -26.4 46.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.414 -1.266 . . . . 70.22 110.003 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.49 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 98.72 -23.09 37.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.657 -0.782 . . . . 63.44 111.44 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -111.56 -29.2 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.253 -0.647 . . . . 74.41 109.253 175.006 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.8 ttp 69.48 107.98 0.06 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.511 1.132 . . . . 74.12 110.671 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.5 t70 -67.37 160.87 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 70.21 110.416 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 18.9 mm-40 -60.1 -28.7 68.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.052 -0.522 . . . . 64.24 112.175 -172.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 89' ' ' SER . 61.8 t -70.24 -48.3 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.343 . . . . 52.21 110.272 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 mp0 -63.04 -41.18 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 73.43 110.33 175.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.83 -28.98 69.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.769 -0.65 . . . . 73.31 111.13 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 60.7 m -62.11 -34.2 75.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.24 112.06 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.941 HD11 ' HB3' ' A' ' 112' ' ' MET . 15.2 tt -81.78 -20.72 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 120.996 0.427 . . . . 74.24 111.03 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -78.88 -16.25 57.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 75.43 111.2 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.57 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.8 mmt -58.93 -42.0 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 51.45 112.033 -175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.454 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -78.47 -31.56 47.96 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.631 -0.428 . . . . 74.34 110.872 -178.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.619 HD21 HD13 ' A' ' 74' ' ' LEU . 2.0 mp -58.84 -44.76 91.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 112.226 0.454 . . . . 71.14 112.226 -173.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 58' ' ' PHE . 45.0 mt -57.92 -53.82 40.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 75.14 110.637 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.0 mmtt -71.04 -28.98 64.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 65.14 111.072 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 14.0 tp -73.67 -36.73 65.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.252 . . . . 71.32 110.442 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 102' ' ' TYR . 8.8 mtpm? -71.68 -33.11 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.869 -0.333 . . . . 73.11 110.363 177.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 61' ' ' SER . 90.1 mt -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 44.14 110.445 175.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 80.4 mt-30 -78.69 -20.19 50.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.893 -0.594 . . . . 71.24 111.185 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.72 -11.73 6.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.234 -0.984 . . . . 75.13 113.445 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.672 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 95.2 m-85 -80.93 156.8 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.138 0.469 . . . . 75.12 110.477 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -173.36 134.52 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.081 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.5 mt -139.56 161.96 53.9 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 61.22 109.873 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.01 -168.41 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.915 2.41 . . . . 71.45 112.278 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.651 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 29.1 m -73.79 -3.24 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 33.34 111.272 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.9 97.8 8.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.11 -0.496 . . . . 61.14 110.46 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 74' ' ' LEU . 1.9 pp -83.4 151.77 63.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 72.11 110.499 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.49 153.76 72.77 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.639 2.226 . . . . 64.02 112.43 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.9 -23.19 76.46 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.539 . . . . 74.21 112.472 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.26 -26.72 36.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.544 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.941 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -71.77 -49.09 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 62.54 111.439 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -21.95 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.755 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.03 -167.1 0.21 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.386 -0.825 . . . . 61.54 109.972 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -141.52 70.72 26.14 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-O 121.191 0.52 . . . . 71.24 109.689 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -90.1 82.45 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.154 2.569 . . . . 64.25 111.447 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.51 141.46 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.619 0.724 . . . . 43.41 111.129 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.23 -43.66 1.93 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.694 -1.139 . . . . 64.14 109.514 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.0 tt -146.4 135.92 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.441 -0.8 . . . . 62.31 109.317 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m -83.11 -47.33 11.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.983 0.421 . . . . 74.33 110.226 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.315 -0.85 . . . . 71.15 110.009 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.255 -0.276 . . . . 73.14 110.255 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.76 -78.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.62 -0.8 . . . . 53.33 111.383 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -126.26 104.84 8.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.56 0.695 . . . . 65.12 110.869 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -117.76 95.99 5.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.007 -0.997 . . . . 73.51 109.505 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.426 ' HA ' ' OG ' ' A' ' 46' ' ' SER . 21.0 p-80 -90.5 126.82 36.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.405 0.621 . . . . 54.23 110.884 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -160.22 26.97 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.244 -0.889 . . . . 72.44 108.628 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 46' ' ' SER . 3.1 p80 -75.84 155.76 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.535 0.683 . . . . 71.33 111.978 -170.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -129.02 96.72 4.41 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.895 -1.048 . . . . 73.35 108.744 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -77.32 81.83 3.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.874 -0.603 . . . . 72.34 110.452 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -130.96 136.24 48.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.203 -0.908 . . . . 75.0 109.066 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.8 mtt -54.11 129.28 34.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.503 0.502 . . . . 71.3 110.576 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.02 73.19 1.49 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.93 -0.577 . . . . 55.31 110.266 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.521 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 94.5 mt-30 -142.15 101.42 3.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.781 -0.645 . . . . 74.1 110.591 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -127.67 95.85 34.12 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 73.13 109.179 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.85 119.33 6.5 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.799 2.333 . . . . 65.32 112.94 -174.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -138.31 85.6 18.1 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.949 -1.023 . . . . 65.31 109.998 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -87.17 173.73 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.785 2.99 . . . . 63.2 111.735 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 59.63 88.23 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.842 0.714 . . . . 72.1 111.039 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.68 -92.7 0.05 OUTLIER Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.938 -0.648 . . . . 65.41 112.739 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.26 179.52 43.18 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.474 -0.87 . . . . 75.21 112.139 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -118.88 17.31 13.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.255 0.55 . . . . 75.32 110.119 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 tp -155.9 141.99 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.652 -0.703 . . . . 74.33 110.198 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t70 65.74 30.37 10.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 122.032 0.92 . . . . 73.11 110.084 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -72.85 -27.17 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.855 -1.066 . . . . 70.34 111.364 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.752 ' HH2' HD11 ' A' ' 104' ' ' LEU . 92.2 m95 -73.76 -17.54 61.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 71.13 110.999 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.56 143.69 42.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.768 -0.651 . . . . 74.31 111.04 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.473 HG12 ' HE3' ' A' ' 93' ' ' LYS . 47.3 mt -110.25 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.306 0.574 . . . . 74.03 109.506 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -87.22 176.53 7.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.421 -0.809 . . . . 62.22 110.371 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.942 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 47.4 t -55.29 -37.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 75.41 111.17 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.4 mp0 -61.12 -47.14 87.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.437 -0.208 . . . . 72.14 110.437 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -68.09 -32.89 73.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.436 -0.347 . . . . 40.45 111.154 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.942 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -72.3 -42.65 65.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.635 -0.426 . . . . 72.51 109.853 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 32' ' ' ARG . . . -66.93 -39.3 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.806 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 11.6 tmtt? -57.37 -46.13 83.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 73.05 110.709 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 7.5 p-80 -77.85 -28.35 50.07 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.487 -0.485 . . . . 61.23 110.843 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.05 -45.14 93.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.157 0.503 . . . . 71.04 110.017 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 13' ' ' GLN . 23.7 tt0 -57.47 -44.4 84.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.531 -0.759 . . . . 61.03 110.521 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 35' ' ' HIS . 18.5 mt-30 -73.18 -28.07 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.76 . . . . 75.31 111.202 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -34.82 79.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.86 -0.793 . . . . 74.23 108.86 175.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.89 -37.16 86.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 64.14 110.224 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 m -75.19 -16.45 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 74.34 111.89 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.7 tt -69.66 -21.66 63.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.036 -0.727 . . . . 73.45 109.036 174.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mppt? 63.94 75.95 0.36 Allowed Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 115.027 -0.988 . . . . 73.35 110.645 -172.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.33 139.17 53.66 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.477 2.118 . . . . 73.42 111.368 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.57 -54.62 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 62.22 110.605 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 5' ' ' HIS . 1.4 t -156.16 50.32 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.909 -0.587 . . . . 73.12 109.557 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 6.8 68.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 74.42 112.267 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -143.37 165.65 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.449 . . . . 71.33 109.786 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.31 175.45 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 72.03 109.923 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.645 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 11.5 p -133.35 -177.07 4.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 75.34 110.451 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.16 -37.16 93.5 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.146 -0.55 . . . . 73.41 112.523 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.64 -35.66 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.048 0.452 . . . . 72.54 110.27 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.645 ' HB2' ' H ' ' A' ' 50' ' ' THR . 2.8 mp0 -67.46 -40.16 85.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 73.34 110.43 176.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' O ' ' HD1' ' A' ' 58' ' ' PHE . . . -64.41 -46.29 83.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 71.33 109.765 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.07 -49.82 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 72.41 110.936 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -64.04 -38.53 91.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 72.22 111.108 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.52 -51.46 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.576 -0.283 . . . . 64.4 110.924 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' HD1' ' O ' ' A' ' 54' ' ' ALA . 29.8 m-85 -60.43 -40.29 90.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.359 -0.382 . . . . 72.23 111.308 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -65.79 -31.17 72.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 74.12 110.721 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -79.18 5.39 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.762 -0.654 . . . . 71.12 111.619 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -85.89 -46.96 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.911 -0.493 . . . . 72.35 111.104 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.76 -3.61 29.02 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.932 -0.651 . . . . 44.25 111.806 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.86 150.27 58.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.432 -0.21 . . . . 64.54 110.432 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 67' ' ' VAL . 24.3 Cg_endo -64.13 153.57 75.55 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.332 2.022 . . . . 71.5 111.873 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -58.62 -45.08 99.68 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.825 0.676 . . . . 73.43 112.825 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 81.3 Cg_exo -51.67 -41.07 63.39 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.848 1.699 . . . . 73.1 112.218 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG13 ' HE2' ' A' ' 98' ' ' LYS . 56.0 t -70.15 -40.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 74.35 110.62 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.21 -45.82 92.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.9 -0.591 . . . . 74.2 110.736 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.24 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 65.43 111.168 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -46.38 85.12 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.3 -0.63 . . . . 64.43 109.3 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 95' ' ' ILE . 96.9 mt -65.67 -42.89 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.764 -0.653 . . . . 75.42 110.67 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -64.64 -43.99 91.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.226 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 -27.84 68.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 75.03 110.636 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' HG ' ' A' ' 108' ' ' LEU . 2.3 mt -76.39 -48.4 19.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.56 -0.746 . . . . 75.02 111.106 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -72.25 -44.25 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 74.12 112.057 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.699 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 19.9 t0 -76.81 77.85 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.485 -0.931 . . . . 74.04 108.485 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -67.86 -45.88 73.33 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.053 -0.976 . . . . 72.1 111.676 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -76.38 -12.57 60.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.607 -0.516 . . . . 62.35 109.607 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.699 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 47.23 71.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.3 -1.318 . . . . 73.13 112.085 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -91.92 -21.9 20.33 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.553 -0.749 . . . . 73.55 109.85 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.81 -6.13 73.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.876 -0.678 . . . . 63.13 112.612 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -18.68 13.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.822 -0.222 . . . . 75.13 111.433 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 48.0 ttm 61.18 101.14 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.678 0.752 . . . . 62.24 111.975 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 17.5 t70 -73.14 168.09 19.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.706 -0.679 . . . . 63.43 109.614 176.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.26 -24.83 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.714 -0.221 . . . . 74.14 110.75 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.53 -43.98 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.009 0.433 . . . . 71.32 109.97 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 5.0 mm-40 -68.54 -37.74 80.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 73.12 109.941 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -70.31 -28.66 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.546 . . . . 74.35 110.843 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.3 t -59.18 -32.68 70.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 63.32 110.839 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.8 tt -96.65 -12.86 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 64.23 110.504 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -76.77 -36.66 56.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.992 -0.549 . . . . 64.4 112.101 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -27.22 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 75.32 110.772 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HE3' HG12 ' A' ' 27' ' ' ILE . 51.5 mmtt -59.83 -48.8 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 70.41 110.403 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.487 HD11 ' HG ' ' A' ' 104' ' ' LEU . 1.3 mp -69.24 -39.65 78.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 74.13 112.191 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 71' ' ' ILE . 38.0 mm -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.112 0.482 . . . . 70.4 110.264 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -71.38 -38.76 71.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.695 -0.684 . . . . 73.5 110.3 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.4 tp -66.59 -41.55 88.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 75.42 111.459 -175.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HE2' HG13 ' A' ' 67' ' ' VAL . 25.6 mtpp -71.62 -27.33 63.03 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.59 -0.444 . . . . 64.51 111.348 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.76 -34.62 74.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.984 0.421 . . . . 74.3 110.588 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -75.47 -25.96 57.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 75.22 110.535 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.12 45.75 0.67 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.538 -0.839 . . . . 63.34 113.344 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 47.7 m-85 -110.22 159.09 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.037 0.446 . . . . 65.22 110.718 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' C ' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.08 145.45 43.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 65.04 111.362 -178.028 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.752 HD11 ' HH2' ' A' ' 25' ' ' TRP . 3.0 mm? -132.14 145.19 56.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 74.31 111.101 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 74' ' ' LEU . 86.2 Cg_endo -87.61 -164.41 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.12 2.547 . . . . 61.31 111.674 172.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.6 m -92.89 10.33 31.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.297 0.57 . . . . 44.14 110.918 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.7 114.51 8.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 71.03 110.725 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.86 ' HG ' HD22 ' A' ' 74' ' ' LEU . 71.8 mt -84.95 156.7 60.68 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.514 -0.312 . . . . 74.53 110.806 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.89 153.56 43.44 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.916 2.411 . . . . 74.54 112.686 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.9 -22.04 27.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 53.13 113.076 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.1 -36.47 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 72.14 111.698 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 59.8 mtp -70.79 -26.61 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 73.4 111.399 -173.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.32 -21.21 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.106 -0.497 . . . . 63.42 111.28 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 61.18 -169.34 0.17 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.548 -0.751 . . . . 75.55 109.789 -171.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 52.6 tt0 -84.95 136.81 38.18 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.826 -0.805 . . . . 71.12 108.826 170.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 115' ' ' GLN . 11.8 Cg_exo -69.03 68.37 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.737 2.291 . . . . 71.23 111.492 176.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 m -76.25 104.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.415 -0.811 . . . . 71.3 111.707 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 119' ' ' ILE . . . -138.91 16.81 2.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.788 -1.097 . . . . 71.43 109.716 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 118' ' ' ALA . 36.9 mm 71.88 -54.1 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.885 -1.052 . . . . 74.24 111.511 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 m -74.39 99.66 3.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.355 0.598 . . . . 54.12 110.746 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.433 -0.803 . . . . 52.42 108.929 179.667 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.192 -0.299 . . . . 63.14 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.36 73.42 1.08 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.801 -0.714 . . . . 64.32 111.664 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -135.34 99.11 4.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.677 -0.49 . . . . 74.31 109.677 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -65.58 125.21 24.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.21 0.529 . . . . 74.31 110.807 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -134.41 118.55 17.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.713 -0.676 . . . . 71.54 110.953 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -146.95 141.7 26.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.533 -0.758 . . . . 75.23 109.885 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -113.96 111.4 21.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.111 0.482 . . . . 74.21 110.258 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -85.96 145.71 27.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 75.24 110.536 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 t -152.4 127.68 9.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.99 -0.55 . . . . 72.35 110.337 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -142.09 71.98 1.37 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.822 -0.807 . . . . 63.11 108.822 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.3 ptm -95.9 113.11 24.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.485 -0.78 . . . . 64.22 110.792 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.96 100.54 4.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.727 -0.67 . . . . 51.02 110.064 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -109.61 143.26 39.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.501 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -127.09 90.76 48.48 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.048 -0.723 . . . . 62.41 109.048 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.7 139.1 22.18 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.052 2.502 . . . . 72.44 112.285 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -74.53 137.56 74.33 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.016 -0.538 . . . . 72.11 110.41 176.609 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 22.1 Cg_exo -65.33 -178.11 0.79 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.724 2.283 . . . . 71.15 111.58 174.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.74 129.86 51.28 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.924 -0.58 . . . . 74.13 111.409 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.93 56.0 0.73 Allowed Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.917 -0.873 . . . . 74.31 110.917 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.96 80.68 1.77 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 73.14 112.951 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -96.54 85.8 3.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.251 0.548 . . . . 73.12 110.03 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB3' ' H ' ' A' ' 23' ' ' ASP . 7.2 mp -127.4 -153.54 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.677 -0.692 . . . . 74.54 109.884 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.8 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 5.4 p-10 45.24 89.21 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.49 1.116 . . . . 54.14 113.371 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.8 m -104.68 -32.52 8.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.914 -1.039 . . . . 72.31 110.08 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -106.09 14.29 27.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.596 -0.729 . . . . 75.35 110.926 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.8 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -103.2 173.25 6.39 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.841 -1.072 . . . . 73.23 109.905 172.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -86.5 92.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.236 0.541 . . . . 65.05 110.094 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -70.59 162.44 28.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.151 -0.932 . . . . 63.15 109.837 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 t -49.96 -47.21 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 122.389 0.276 . . . . 64.44 111.221 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.08 -51.26 70.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.446 -0.343 . . . . 42.33 111.171 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.67 -42.42 78.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 70.13 110.2 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 1.1 tmt_? -58.74 -41.61 86.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.344 -0.844 . . . . 72.14 110.022 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.02 -31.48 50.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.885 0.374 . . . . 52.13 111.297 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -59.02 -40.65 85.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 71.43 112.537 -175.244 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -57.56 -32.4 67.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.806 0.336 . . . . 71.53 111.39 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.22 -49.29 67.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 72.14 111.138 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -73.79 -31.35 63.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.911 -0.586 . . . . 71.3 111.168 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.8 mm100 -64.88 -40.64 95.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.529 -0.545 . . . . 72.1 109.529 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HE1' HD12 ' A' ' 49' ' ' ILE . 32.7 t80 -67.4 -35.82 80.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 72.04 110.092 177.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.85 -41.96 97.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.713 -0.676 . . . . 73.31 109.919 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -75.27 -17.88 60.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.035 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.684 HD13 HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -64.9 -21.02 66.74 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.074 0.464 . . . . 63.31 109.808 178.151 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 66.18 66.78 0.74 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.185 -0.916 . . . . 72.4 110.83 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.46 133.82 27.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.955 1.77 . . . . 72.31 111.237 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.65 -65.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 74.41 110.734 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -101.38 22.88 11.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.205 0.526 . . . . 74.41 110.975 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.33 -2.78 71.55 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.032 -0.827 . . . . 62.45 111.032 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -126.31 169.64 12.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.489 -0.56 . . . . 73.04 109.489 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.684 HG21 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -128.8 -176.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.801 -0.444 . . . . 74.43 109.801 178.641 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 t -149.46 -177.88 6.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 74.1 109.529 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.26 94.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.44 -0.409 . . . . 71.34 112.696 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.38 -36.34 83.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.705 0.288 . . . . 74.34 111.331 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HB2' ' H ' ' A' ' 50' ' ' THR . 83.2 mm-40 -64.91 -46.38 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.558 0.218 . . . . 75.3 110.566 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.74 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.324 0.583 . . . . 53.21 110.242 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.58 -42.5 64.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.907 -1.042 . . . . 74.14 111.483 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -75.77 -48.66 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.296 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 78.4 t80 -58.26 -47.14 84.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.538 -0.301 . . . . 72.35 111.748 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.961 ' HB3' HD22 ' A' ' 68' ' ' LEU . 3.6 m-85 -59.66 -42.31 92.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 72.43 110.444 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -70.92 -34.9 71.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.532 . . . . 71.21 110.347 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -22.45 64.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.759 . . . . 73.33 110.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m -70.23 -18.99 63.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.046 -0.524 . . . . 52.42 111.093 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.19 21.88 9.67 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.559 -0.829 . . . . 41.41 112.859 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 99' ' ' LEU . 87.6 mt -111.57 143.79 29.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 110.413 -0.218 . . . . 74.44 110.413 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 22.4 Cg_exo -66.08 153.55 77.65 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.749 2.3 . . . . 72.01 111.929 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.0 tt0 -57.03 -46.45 99.87 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.091 0.774 . . . . 74.21 113.091 -175.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 12.4 Cg_endo -57.42 -24.35 60.33 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.053 1.835 . . . . 75.41 112.11 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.767 HG13 ' HE2' ' A' ' 98' ' ' LYS . 77.1 t -80.6 -38.86 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 74.3 109.952 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.3 mt -63.24 -50.58 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.264 -0.88 . . . . 73.43 111.086 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.79 65.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 61.5 111.822 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -67.51 -37.52 82.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.342 -0.39 . . . . 64.31 111.072 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.725 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.8 mt -69.49 -47.38 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 74.53 109.903 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.439 ' HD1' ' SD ' ' A' ' 83' ' ' MET . 22.1 t90 -62.04 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.275 -0.875 . . . . 73.54 111.278 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.19 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 62.42 111.308 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.768 HD13 HD23 ' A' ' 108' ' ' LEU . 23.3 mt -84.73 -31.34 24.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 64.33 111.682 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -63.96 -59.15 4.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.214 -0.903 . . . . 41.12 112.536 -172.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.86 ' HB3' ' HG2' ' A' ' 83' ' ' MET . 39.1 p-10 -78.06 95.44 4.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 122.108 0.956 . . . . 72.32 110.303 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.4 mtm -59.83 -30.26 68.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.895 -1.048 . . . . 54.32 111.011 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -84.89 -11.96 54.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 54.11 110.27 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.547 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 65.1 t30 47.74 62.71 2.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.161 -0.927 . . . . 62.3 111.374 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.5 -17.53 17.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 63.15 110.53 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.3 4.8 66.05 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.679 -0.772 . . . . 64.42 113.313 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -121.06 -41.61 2.53 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 117.458 0.629 . . . . 71.31 110.733 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.86 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 62.4 mtm 69.73 130.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.226 0.954 . . . . 74.23 111.624 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.55 -178.62 4.19 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.168 -1.049 . . . . 63.4 108.168 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.23 -25.67 67.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.568 0.223 . . . . 60.23 110.616 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.22 -54.05 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 41.42 110.275 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 21.1 mp0 -65.36 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 53.25 110.671 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.58 -31.01 67.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 71.23 110.822 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.3 t -64.15 -26.87 68.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.849 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 108' ' ' LEU . 15.5 tt -96.5 -23.66 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.955 0.407 . . . . 71.41 110.264 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -70.62 -36.8 73.68 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.126 -0.488 . . . . 42.22 111.716 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.072 0.463 . . . . 63.04 110.823 -177.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -67.53 -42.74 82.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 74.44 109.467 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 71' ' ' ILE . 3.0 tp -69.67 -37.39 76.67 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.845 -0.616 . . . . 74.51 110.72 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ALA . 56.9 mt -59.51 -46.67 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.865 -0.42 . . . . 62.43 109.865 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.2 -48.53 81.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 74.11 111.289 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.67 -42.26 86.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.296 -0.411 . . . . 51.32 111.771 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.767 ' HE2' HG13 ' A' ' 67' ' ' VAL . 41.3 mtpt -73.39 -26.82 61.15 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.46 -0.496 . . . . 75.21 111.149 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.537 ' HA ' HD21 ' A' ' 63' ' ' LEU . 25.5 mt -61.19 -31.35 71.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.822 0.344 . . . . 74.33 110.562 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.64 -25.12 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.598 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 113.4 53.14 0.47 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 21.34 113.144 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -126.9 157.08 40.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.067 -0.346 . . . . 75.05 110.067 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.52 133.7 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.268 -0.424 . . . . 74.0 110.474 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 mp -131.63 144.7 54.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.503 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.565 ' O ' HD11 ' A' ' 74' ' ' LEU . 87.4 Cg_endo -86.36 -164.76 0.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.14 2.56 . . . . 75.34 111.466 173.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.664 ' HA ' HD21 ' A' ' 74' ' ' LEU . 19.4 m -72.64 -0.46 13.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 75.11 111.634 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.53 82.09 8.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.002 0.429 . . . . 73.13 110.674 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -75.77 139.46 70.22 Favored Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 108.831 -0.803 . . . . 51.14 108.831 177.045 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.576 ' HD2' HD13 ' A' ' 108' ' ' LEU . 34.5 Cg_exo -62.34 152.15 78.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.154 1.902 . . . . 64.44 112.489 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.29 -14.62 14.69 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.48 2.12 . . . . 64.3 112.227 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.89 -40.91 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.382 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 69.8 mmm -61.38 -43.43 98.88 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.044 0.45 . . . . 53.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 9.7 ptmt -89.6 -13.94 36.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 63.44 110.922 -176.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 71.11 -22.64 0.18 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.172 0.989 . . . . 75.33 113.405 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 113' ' ' LYS . 26.6 tt0 -142.2 104.71 5.6 Favored Pre-proline 0 C--N 1.301 -1.523 0 CA-C-N 115.439 -0.8 . . . . 75.54 110.546 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.43 124.88 4.88 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.349 2.033 . . . . 73.51 111.033 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.9 m -72.26 108.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.563 0.697 . . . . 73.05 110.496 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.88 83.74 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.245 -0.889 . . . . 71.24 110.947 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 -43.7 15.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.285 -0.635 . . . . 74.23 109.285 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.1 t -124.45 100.95 6.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 53.51 109.423 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.674 -0.679 . . . . 73.21 110.21 -179.585 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tmm? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.828 -0.434 . . . . 74.12 109.828 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.07 134.66 3.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.526 -0.845 . . . . 73.41 112.275 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -72.79 104.34 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.416 -0.587 . . . . 74.11 109.416 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -73.13 -56.86 4.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.349 -0.387 . . . . 71.24 109.979 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.564 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 5.9 p80 -104.51 127.55 52.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.452 0.644 . . . . 72.13 111.138 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' ASN . 56.0 m80 -109.35 175.05 5.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.14 -0.936 . . . . 73.24 109.195 175.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -130.11 110.05 11.3 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.878 -0.329 . . . . 74.13 110.365 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -103.71 64.48 0.8 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.41 0.624 . . . . 74.42 109.708 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 82.9 7.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.497 -0.774 . . . . 61.12 111.345 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.33 148.8 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.596 -0.729 . . . . 63.25 109.437 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -89.14 124.44 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.538 -0.301 . . . . 73.01 110.97 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.51 81.45 8.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.337 0.589 . . . . 71.15 110.264 176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -109.18 -2.34 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 62.23 110.747 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 96.7 m-85 -77.91 121.5 84.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 70.34 110.642 -177.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 1.3 Cg_endo -78.84 106.08 2.04 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.478 2.119 . . . . 71.55 111.649 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 18.4 p -96.87 122.06 57.71 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.456 -0.793 . . . . 65.31 110.724 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 23.5 Cg_exo -62.47 118.57 5.46 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.834 2.356 . . . . 64.44 111.855 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -69.62 152.05 45.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.506 -0.77 . . . . 63.02 110.769 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.03 -143.28 15.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.821 -0.704 . . . . 61.23 111.866 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.69 -83.17 0.48 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.0 -0.619 . . . . 41.31 112.538 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 m -94.87 38.4 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.924 -0.399 . . . . 72.43 109.924 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.4 tp 73.12 127.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.146 -0.934 . . . . 74.23 110.564 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.81 24.06 1.57 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.403 -0.817 . . . . 72.2 112.489 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -70.7 -32.92 70.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.406 0.622 . . . . 73.42 110.237 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.701 ' CH2' HD21 ' A' ' 104' ' ' LEU . 22.0 m95 -104.56 0.59 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.4 -0.818 . . . . 74.14 111.217 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.37 140.27 30.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.184 -0.916 . . . . 34.34 110.437 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.47 100.24 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 63.32 110.905 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.844 HG22 ' HG2' ' A' ' 31' ' ' GLU . 1.8 t -86.6 177.86 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 73.05 109.941 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.47 -51.86 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 122.28 0.232 . . . . 63.2 111.617 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.08 -41.73 93.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.536 -0.302 . . . . 70.4 110.781 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.844 ' HG2' HG22 ' A' ' 28' ' ' THR . 10.4 mm-40 -62.27 -43.07 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.38 0.609 . . . . 60.43 110.369 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.13 -32.54 73.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.7 -0.682 . . . . 73.03 110.685 -176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.65 -17.95 34.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.487 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' SD ' ' A' ' 92' ' ' MET . 46.2 tptt -59.51 -43.24 93.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 75.32 111.946 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.0 p-80 -57.45 -34.66 69.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.431 -0.35 . . . . 75.32 111.864 -174.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.59 -45.46 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.162 0.506 . . . . 62.43 110.585 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -50.18 73.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.246 -0.888 . . . . 64.43 109.872 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.38 -43.22 95.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.32 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -58.27 -37.16 74.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.063 0.459 . . . . 63.3 110.543 -178.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.06 -41.32 95.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.846 -0.616 . . . . 74.24 110.443 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 t -77.48 -18.87 56.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.851 -0.613 . . . . 55.21 111.593 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -0.76 15.96 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.407 0.521 . . . . 44.3 112.407 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 68.86 68.27 0.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.422 -0.808 . . . . 73.12 110.855 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.59 124.08 8.0 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.407 1.405 . . . . 73.5 111.403 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -53.8 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.478 -0.783 . . . . 74.53 109.435 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -146.92 -46.9 0.18 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.272 -1.01 . . . . 74.4 108.272 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.06 37.22 0.33 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.186 -1.166 . . . . 73.14 110.186 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -139.97 156.74 46.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.396 -0.402 . . . . 62.13 110.68 -173.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.529 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -136.76 166.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.827 -0.805 . . . . 75.14 108.827 170.628 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -141.13 168.98 18.49 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.121 -0.231 . . . . 64.22 110.873 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.67 -34.57 82.58 Favored Glycine 0 C--N 1.334 0.453 0 O-C-N 123.359 0.412 . . . . 62.04 112.524 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.76 -53.06 61.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.721 0.296 . . . . 64.11 111.511 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -70.65 -31.23 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 73.44 110.331 -178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.54 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 109.969 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 96.0 mtt180 -60.03 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 72.31 110.971 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.2 -39.46 79.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 63.33 111.167 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.87 -59.21 5.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.731 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.694 ' CE1' ' HA ' ' A' ' 55' ' ' ARG . 1.3 p90 -75.85 -17.35 59.85 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.011 -0.676 . . . . 70.1 111.748 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -40.7 97.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.621 -0.511 . . . . 65.4 109.621 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.99 -8.65 57.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.786 -0.643 . . . . 61.42 111.266 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 58' ' ' PHE . 20.1 m -77.12 -19.99 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.953 0.406 . . . . 75.04 110.439 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.74 23.87 34.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.43 113.311 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HB2' HD21 ' A' ' 68' ' ' LEU . 68.1 mt -95.36 148.34 34.48 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.84 -0.43 . . . . 71.01 109.84 175.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 39.2 Cg_exo -62.15 153.1 71.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.948 2.432 . . . . 65.51 112.241 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.1 mt-30 -52.23 -51.21 74.17 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 112.868 0.692 . . . . 75.31 112.868 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 11.6 Cg_endo -56.27 -35.01 95.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.132 1.888 . . . . 63.31 112.046 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 68.4 t -74.27 -39.08 48.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.982 -0.554 . . . . 74.13 110.448 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 83.7 mt -62.01 -51.62 67.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.777 -0.647 . . . . 73.24 110.532 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -32.28 71.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 75.22 110.712 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.65 -34.78 78.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.459 178.38 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.827 HG13 ' HD2' ' A' ' 98' ' ' LYS . 55.5 mt -66.03 -51.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.725 0.298 . . . . 64.33 110.436 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -66.5 -41.46 88.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.128 -0.487 . . . . 75.03 111.126 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.13 66.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 62.31 111.278 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 104' ' ' LEU . 11.6 mt -91.54 -44.36 9.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 73.24 111.225 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -67.38 -34.07 76.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 55.24 111.423 -176.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.722 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -75.28 76.78 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.417 -0.957 . . . . 71.22 108.417 174.433 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.75 -44.57 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 74.2 111.794 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 5' ' ' HIS . 1.1 p-10 -81.17 -14.82 57.22 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.935 -0.765 . . . . 75.52 108.935 174.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.722 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 65.2 t30 42.95 74.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.281 -1.327 . . . . 55.12 113.433 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -102.44 -10.38 19.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.45 0.643 . . . . 72.43 109.598 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.98 18.79 6.67 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.668 -0.777 . . . . 71.32 112.316 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -176.19 134.42 0.25 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.354 0.597 . . . . 74.22 110.404 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.0 ptp -84.91 128.78 34.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.752 -1.113 . . . . 73.31 111.271 -175.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.15 -179.35 5.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 74.13 109.124 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.54 -37.21 67.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.882 0.31 . . . . 73.2 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.73 -37.64 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.63 -0.259 . . . . 64.4 111.222 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 90' ' ' ILE . 6.8 mm-40 -73.74 -41.83 61.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.274 0.559 . . . . 73.44 110.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.1 -28.03 69.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 75.35 110.663 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -60.88 -15.2 27.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.829 -0.623 . . . . 70.44 111.585 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 112' ' ' MET . 14.9 tt -104.54 -20.95 5.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.922 0.392 . . . . 75.31 111.428 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -67.72 -22.92 65.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.051 0.453 . . . . 73.03 110.968 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.425 ' SD ' ' HB3' ' A' ' 34' ' ' LYS . 25.6 ptt? -48.18 -41.95 28.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.896 -1.047 . . . . 71.31 112.732 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -13.23 21.4 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.773 -0.371 . . . . 64.13 111.669 -173.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.6 mp -70.78 -46.28 63.19 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.799 -0.36 . . . . 60.23 110.819 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 71' ' ' ILE . 53.7 mt -64.45 -42.24 94.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.233 0.54 . . . . 73.22 109.546 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.85 -38.02 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.086 -0.961 . . . . 72.33 110.832 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.81 -38.72 27.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 71.24 111.321 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.827 ' HD2' HG13 ' A' ' 71' ' ' ILE . 36.6 mttp -69.4 -30.05 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.958 -0.297 . . . . 73.4 111.498 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.55 -14.13 61.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 61.44 110.557 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -90.87 -5.61 55.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.288 0.566 . . . . 65.04 110.039 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.84 55.41 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.886 -0.597 . . . . 75.32 112.83 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -137.18 162.44 33.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.206 0.527 . . . . 63.44 111.118 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' C ' HD12 ' A' ' 104' ' ' LEU . 5.0 pm0 -142.59 165.14 28.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.22 -0.9 . . . . 74.22 109.463 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.4 mp -140.62 167.08 18.9 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.67 -0.492 . . . . 74.43 109.67 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.5 -169.74 0.51 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.342 2.028 . . . . 72.4 111.31 168.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.1 m -85.53 -4.85 59.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.176 0.513 . . . . 64.05 111.069 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.71 115.56 20.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 53.43 111.069 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.34 155.18 46.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.143 -0.481 . . . . 55.01 110.305 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 51.2 Cg_exo -56.21 152.82 36.24 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.907 2.404 . . . . 72.41 113.328 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 16.6 Cg_exo -68.87 -17.4 41.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.142 2.561 . . . . 73.22 112.495 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.44 -26.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.578 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.757 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -74.34 -25.45 59.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.923 -0.581 . . . . 74.41 111.371 -178.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.31 -6.08 17.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 71.21 110.764 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 63.24 -172.67 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.25 -0.886 . . . . 53.43 111.736 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 36.54 86.99 0.12 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.75 1.22 . . . . 73.21 113.727 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.09 134.89 62.25 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.968 2.445 . . . . 42.24 111.217 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 29.3 m -86.21 142.1 13.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.326 -0.397 . . . . 65.12 111.061 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.84 3.67 53.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.29 0.567 . . . . 63.4 110.513 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.4 102.3 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.756 -0.657 . . . . 63.35 109.885 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -136.19 149.47 48.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 73.11 109.932 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.098 -0.953 . . . . 74.35 109.793 177.078 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.722 0.296 . . . . 74.41 110.391 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.34 77.77 1.35 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.159 -0.543 . . . . 70.13 113.196 -176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.05 97.37 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.88 0.372 . . . . 73.21 110.027 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -86.43 115.52 23.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.1 -0.704 . . . . 54.15 109.1 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.84 -23.81 67.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.65 . . . . 73.44 111.398 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 63.74 76.53 0.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.528 0.68 . . . . 73.05 110.105 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.232 -0.895 . . . . 61.41 111.129 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 64.42 91.9 0.07 Allowed 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.222 -0.658 . . . . 73.2 109.222 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -54.21 103.65 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.498 -0.774 . . . . 53.33 111.344 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -106.6 97.11 6.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.774 -0.648 . . . . 74.33 109.461 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -128.31 148.3 50.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.61 . . . . 70.43 110.355 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.32 -4.5 3.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.288 -0.414 . . . . 72.34 111.221 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -97.13 133.98 41.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.933 0.397 . . . . 70.35 110.93 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -148.3 152.78 39.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.634 . . . . 74.2 109.444 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.03 128.99 27.01 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.475 2.117 . . . . 61.2 112.341 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -85.6 145.21 41.39 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 115.297 -0.865 . . . . 71.14 110.036 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.21 126.32 19.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.711 2.274 . . . . 74.1 112.254 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -121.85 178.56 4.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.417 -0.81 . . . . 74.02 110.377 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 135.23 45.16 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.311 -0.471 . . . . 35.45 113.003 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.05 131.2 6.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.712 -0.555 . . . . 71.24 111.712 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -82.33 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.88 0.371 . . . . 62.31 111.016 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.17 138.74 31.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.101 -0.499 . . . . 53.04 109.791 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -165.07 154.62 12.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.542 0.687 . . . . 71.45 110.775 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -136.65 -36.46 0.7 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.219 -0.9 . . . . 65.41 110.946 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -112.62 -16.3 12.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.614 0.598 . . . . 75.22 112.614 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.23 164.58 21.1 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.47 -0.492 . . . . 42.23 110.495 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.24 96.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 75.34 110.216 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 29' ' ' VAL . 28.0 m -74.75 166.84 22.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.736 -0.665 . . . . 72.12 109.825 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 28' ' ' THR . 9.4 p -48.72 -38.02 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 122.665 0.386 . . . . 74.24 111.617 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.07 -55.45 34.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.637 -0.256 . . . . 74.51 111.3 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -34.01 76.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.19 0.519 . . . . 73.33 110.219 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -66.8 -39.91 87.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 74.25 110.277 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 -33.37 47.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.318 -0.401 . . . . 61.13 111.601 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -57.81 -28.09 63.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.335 0.494 . . . . 54.04 112.335 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -63.0 -26.23 68.76 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.501 -0.48 . . . . 52.42 111.751 -176.675 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 35' ' ' HIS . 21.5 t70 -72.49 -49.38 33.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.226 0.536 . . . . 72.31 110.509 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -62.22 -35.46 78.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.337 -0.847 . . . . 62.31 111.038 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 52.13 110.563 177.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 1.0 OUTLIER -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.431 0.634 . . . . 64.41 110.134 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.86 -37.31 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.128 -0.942 . . . . 71.12 111.109 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -76.22 -18.2 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.974 -176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 88' ' ' PHE . 4.2 mm? -74.34 -11.17 60.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 75.21 111.522 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 59.96 66.29 2.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.614 -0.721 . . . . 70.21 110.244 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.25 129.2 30.46 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.771 2.314 . . . . 61.13 112.841 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 tt -93.4 119.97 42.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.0 -1.0 . . . . 75.55 109.377 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m 63.77 -81.49 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.747 -0.66 . . . . 72.13 110.027 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.43 21.43 0.73 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.283 -0.484 . . . . 24.12 111.999 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.45 -179.2 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.762 0.315 . . . . 72.22 110.422 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.95 178.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.832 -0.433 . . . . 71.41 109.832 176.214 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.5 p -126.66 -178.65 4.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.487 -0.324 . . . . 74.51 110.771 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' H ' ' HG2' ' A' ' 82' ' ' ARG . . . -69.06 -41.32 81.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.046 -0.597 . . . . 63.5 112.554 -176.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.57 -41.96 98.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.643 0.259 . . . . 54.04 110.451 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.8 -45.67 92.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 54.3 110.498 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -55.22 36.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.825 -0.625 . . . . 51.15 111.143 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 3.5 tmm_? -63.48 -34.93 78.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.589 -176.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.59 -48.1 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 71.33 110.772 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.67 -44.84 95.98 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.293 -0.412 . . . . 73.41 111.313 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.924 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.1 m-30 -55.29 -45.99 76.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 73.21 110.311 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.62 -31.91 69.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 75.51 110.56 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -29.64 70.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.805 -0.634 . . . . 72.33 109.686 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 m -66.09 -29.27 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.879 -0.6 . . . . 72.23 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 6.67 29.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.486 -0.864 . . . . 15.23 113.364 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.19 144.9 39.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.905 0.353 . . . . 70.04 110.323 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.4 Cg_endo -62.45 154.33 64.98 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.716 2.277 . . . . 74.25 112.548 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.7 tt0 -55.79 -49.2 94.26 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.184 0.809 . . . . 62.15 113.184 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.8 Cg_endo -55.25 -34.8 89.51 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.988 1.792 . . . . 64.3 112.116 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG13 ' HD3' ' A' ' 98' ' ' LYS . 59.8 t -74.33 -36.65 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.74 -0.664 . . . . 70.14 110.501 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 58' ' ' PHE . 58.7 mt -62.12 -50.31 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 73.4 110.118 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.08 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.928 -1.033 . . . . 53.11 110.575 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -46.72 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 73.3 110.343 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.537 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.4 mt -64.13 -48.75 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.634 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.46 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.2 t90 -65.91 -40.69 91.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 70.52 111.295 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 53.43 110.987 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.788 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.1 mt -79.43 -46.78 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 71.22 111.075 175.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.54 -50.04 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.705 -0.68 . . . . 55.2 111.75 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -77.64 81.5 4.08 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.252 -0.647 . . . . 64.21 109.252 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.6 mtm -61.03 -30.15 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.979 -1.01 . . . . 74.25 111.25 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.72 -10.69 44.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.746 -0.464 . . . . 73.4 109.746 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 53.07 47.54 24.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.266 -0.879 . . . . 75.2 110.266 -176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.23 -35.0 66.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 71.5 109.834 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 102.55 3.51 50.0 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.569 -0.742 . . . . 73.45 111.662 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 84.8 mtt180 -138.18 -30.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.577 0.227 . . . . 75.25 111.048 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.3 mtm 68.35 150.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.266 0.979 . . . . 64.22 111.316 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 12.9 t70 -107.83 -167.85 1.3 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.307 -0.997 . . . . 71.34 108.307 175.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 5.8 mm100 -70.52 -27.66 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.035 0.445 . . . . 65.04 110.254 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.64 -55.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 65.2 110.148 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.62 -32.78 74.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 64.44 110.943 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 58.6 t80 -69.41 -39.65 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 74.35 110.501 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 t -60.53 -37.75 82.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 73.42 110.536 -176.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.1 tt -82.71 -27.45 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.843 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -63.74 -35.64 81.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.269 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -54.9 -43.3 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 60.42 110.76 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' LYS . 38.1 tptt -65.51 -41.26 93.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 70.01 111.158 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -64.7 -33.73 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.478 -0.328 . . . . 64.32 111.801 -175.223 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' ' 58' ' ' PHE . 58.5 mt -65.46 -50.31 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.14 0.495 . . . . 75.43 109.869 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 59.8 mmtt -64.78 -40.05 94.61 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.454 -0.794 . . . . 65.13 110.163 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 15.5 tp -57.0 -50.81 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.072 -0.967 . . . . 74.42 111.024 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HD3' HG13 ' A' ' 67' ' ' VAL . 47.3 mttp -68.7 -28.76 67.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.193 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -77.06 -13.85 59.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.329 -0.396 . . . . 41.41 111.068 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 31.4 mm-40 -88.71 -24.87 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.52 110.57 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.79 57.48 0.49 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.656 -0.783 . . . . 33.35 112.602 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.548 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 97.0 m-85 -133.41 167.69 19.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.006 -0.368 . . . . 73.35 110.006 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -131.5 165.53 23.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 73.12 110.195 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.514 HD21 HD23 ' A' ' 108' ' ' LEU . 24.9 tp -168.55 142.12 2.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.436 ' O ' HD11 ' A' ' 74' ' ' LEU . 3.1 Cg_endo -87.91 -163.68 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.46 2.774 . . . . 61.34 112.28 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.3 m -76.01 5.95 5.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.825 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.0 117.98 34.8 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.288 -0.414 . . . . 54.33 111.148 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.788 ' HG ' HD22 ' A' ' 74' ' ' LEU . 81.0 mt -90.84 144.56 30.42 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 63.25 110.259 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 38.1 Cg_endo -67.84 152.24 77.55 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 121.914 1.742 . . . . 74.43 111.797 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.2 Cg_exo -70.89 -7.04 20.52 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.213 2.609 . . . . 74.25 113.002 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.1 t -82.76 -39.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.429 . . . . 65.4 111.245 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.479 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 82.3 mtp -72.75 -35.49 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 53.55 110.723 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -9.67 48.4 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 64.4 109.755 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 65.89 161.29 0.14 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.192 -0.913 . . . . 60.52 111.732 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -95.04 124.42 54.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 70.41 110.001 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.11 114.9 2.14 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.364 2.042 . . . . 73.02 111.334 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.79 140.22 16.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.272 -0.876 . . . . 62.21 111.485 -175.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -165.99 132.56 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.821 -1.081 . . . . 73.42 109.642 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.7 mm -98.17 89.03 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.436 0.636 . . . . 74.41 109.875 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 m -123.97 -31.38 3.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.676 -0.693 . . . . 45.54 110.296 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.736 -0.649 . . . . 72.3 109.644 -178.363 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.851 0.358 . . . . 72.53 110.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -138.29 14.85 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.925 -0.655 . . . . 73.52 112.4 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 67.51 30.9 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.165 0.586 . . . . 70.4 111.011 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -88.71 111.08 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.845 -0.798 . . . . 75.43 108.845 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -101.21 74.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.849 0.357 . . . . 54.14 111.198 -172.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -123.63 18.78 9.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 73.21 111.033 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -81.68 114.67 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.643 -0.503 . . . . 73.02 109.643 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -130.62 93.28 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.979 0.418 . . . . 74.04 110.93 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -151.64 101.09 2.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 54.41 110.009 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -141.42 113.13 7.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 75.31 109.564 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.9 ptp -143.56 136.08 27.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 72.13 111.432 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.15 139.76 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.128 -0.693 . . . . 74.03 109.128 174.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -126.33 124.96 41.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.932 0.396 . . . . 70.41 111.435 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.95 107.45 37.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.964 -0.562 . . . . 70.11 109.531 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.12 140.0 57.88 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.655 2.237 . . . . 64.42 112.788 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.3 p -88.24 129.11 50.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 53.32 110.604 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.69 146.37 43.16 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.236 1.957 . . . . 63.2 112.652 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 61.21 79.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.935 -1.03 . . . . 75.22 111.659 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.19 111.2 2.91 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.662 -0.699 . . . . 72.31 111.7 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -146.3 11.11 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.654 -0.784 . . . . 44.51 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -81.41 160.0 24.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.762 0.315 . . . . 73.4 111.042 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -111.87 172.38 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.689 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 11.4 p-10 -89.6 36.86 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.821 -0.627 . . . . 62.15 111.079 -176.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -63.73 -64.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 71.04 110.515 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 112' ' ' MET . 89.6 m95 -90.68 -23.29 20.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.845 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -65.72 144.62 56.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.04 -0.527 . . . . 64.42 110.444 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.51 102.37 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.369 0.604 . . . . 73.3 109.507 174.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 159.29 25.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.093 -0.958 . . . . 74.44 110.456 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.54 -34.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.185 0.517 . . . . 52.24 110.949 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.32 -47.17 68.26 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.64 -0.709 . . . . 63.13 110.917 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.8 -37.44 84.38 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.525 0.678 . . . . 71.32 109.858 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 4.1 tmt_? -61.42 -34.77 75.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.172 -0.922 . . . . 75.52 110.381 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.69 -23.27 27.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 74.43 111.547 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.28 -35.09 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.875 -0.602 . . . . 74.41 112.012 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -57.38 -34.97 69.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 65.41 111.831 -175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 13.8 t70 -67.1 -39.4 86.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.444 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.25 -46.02 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 75.24 110.552 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.28 -44.75 71.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 62.35 110.778 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' HZ ' ' HA ' ' A' ' 48' ' ' PHE . 60.1 t80 -62.27 -39.69 93.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.84 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.38 -31.74 71.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 75.43 110.551 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 m -75.6 -19.49 59.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.003 -0.544 . . . . 31.4 111.981 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 57' ' ' PHE . 65.7 mt -81.86 3.79 24.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.814 0.302 . . . . 75.32 111.814 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 54.82 73.27 0.91 Allowed Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 123.843 0.715 . . . . 55.52 111.236 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -51.11 128.45 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.964 1.776 . . . . 52.15 111.648 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.89 -27.18 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.499 0.666 . . . . 75.12 110.993 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -141.71 -69.04 0.37 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.224 -1.028 . . . . 65.02 108.224 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.07 19.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.391 -1.083 . . . . 71.34 110.391 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.623 ' HA ' ' HZ ' ' A' ' 39' ' ' PHE . 20.1 p90 -163.38 177.19 9.13 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.625 -0.288 . . . . 75.41 110.333 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.55 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 65.1 110.336 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 52' ' ' ASP . 10.3 t -148.21 176.71 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 60.24 109.955 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.44 -31.74 63.45 Favored Glycine 0 C--N 1.332 0.307 0 O-C-N 123.272 0.357 . . . . 75.2 113.134 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.484 ' H ' HG23 ' A' ' 50' ' ' THR . 35.5 t70 -60.97 -41.0 95.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 60.43 110.77 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.39 -42.28 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 71.33 109.981 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.18 85.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.56 -0.745 . . . . 64.13 111.06 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -60.26 -39.56 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.811 -0.631 . . . . 72.21 111.55 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -75.0 -32.99 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.646 -0.252 . . . . 71.24 110.826 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.82 ' HD2' HD21 ' A' ' 42' ' ' LEU . 62.7 t80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.628 -0.508 . . . . 54.3 109.628 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.948 ' HB3' HD22 ' A' ' 68' ' ' LEU . 22.4 m-30 -53.3 -48.71 68.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 74.2 110.724 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.19 -48.09 81.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.809 . . . . 74.23 111.87 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.73 -3.05 19.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 74.3 111.575 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -84.71 -17.93 36.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 73.3 110.585 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.9 38.61 5.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.467 -0.873 . . . . 73.22 113.138 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 68' ' ' LEU . 60.9 mt -130.53 150.3 75.92 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 110.355 -0.239 . . . . 52.52 110.355 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 14.6 Cg_exo -69.89 149.21 65.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.931 2.421 . . . . 74.03 112.019 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 68' ' ' LEU . 40.1 mt-30 -53.44 -44.51 97.72 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 113.491 0.923 . . . . 73.42 113.491 -176.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.43 -34.64 42.28 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.136 1.891 . . . . 72.35 112.754 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 47.0 t -83.07 -32.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.425 0.631 . . . . 74.31 110.078 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.948 HD22 ' HB3' ' A' ' 58' ' ' PHE . 72.0 mt -66.9 -48.11 69.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.348 -0.842 . . . . 55.42 110.935 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.84 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.384 -0.826 . . . . 62.24 111.138 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.468 HE22 HD12 ' A' ' 74' ' ' LEU . 1.1 tm0? -61.37 -42.88 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 70.1 109.582 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.025 HD13 HG12 ' A' ' 95' ' ' ILE . 35.7 mt -66.89 -46.17 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.676 -0.693 . . . . 72.52 110.3 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.611 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 21.1 t90 -64.12 -39.76 94.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.442 -0.799 . . . . 65.12 111.314 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.02 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 53.25 110.937 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.802 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.2 mt -91.07 -31.39 16.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.541 -0.754 . . . . 62.1 112.443 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -63.18 -69.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.14 0.422 . . . . 71.31 112.14 -168.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 100.69 8.44 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.543 -0.863 . . . . 73.33 108.726 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.6 mtm -51.84 -29.53 19.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.072 -1.422 . . . . 74.22 112.904 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -77.98 -11.13 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.939 0.399 . . . . 61.32 110.242 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 56.35 53.25 8.97 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.947 -1.131 . . . . 64.32 107.947 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.78 -28.9 30.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.894 -1.503 . . . . 55.13 110.345 -170.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.56 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 87.54 16.22 60.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.716 -0.754 . . . . 54.3 111.716 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -103.38 -44.04 5.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.932 0.345 . . . . 74.25 111.932 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.4 ttm 51.69 78.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.303 -0.862 . . . . 71.31 109.541 -163.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.12 175.33 6.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.201 -0.909 . . . . 74.01 109.213 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.84 -32.01 71.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.444 -0.206 . . . . 74.02 110.444 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.55 -46.02 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 72.3 110.141 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.26 -38.21 87.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.506 0.669 . . . . 55.02 109.823 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.12 -29.4 69.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.558 -0.746 . . . . 64.21 110.324 175.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -66.51 -33.06 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 64.21 110.733 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 108' ' ' LEU . 18.0 tt -92.6 -23.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.273 0.559 . . . . 61.21 110.619 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -84.56 -22.74 29.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 60.45 112.039 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 13.3 ptm -56.34 -39.76 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 63.42 111.865 -176.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 13.0 ptpt -91.8 -4.29 55.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.028 -0.669 . . . . 71.24 111.392 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -67.02 -48.61 67.83 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.174 -0.676 . . . . 72.53 109.174 173.026 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 1.025 HG12 HD13 ' A' ' 71' ' ' ILE . 22.5 mt -63.87 -38.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.508 0.671 . . . . 73.42 109.663 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 84.1 tttt -55.24 -43.52 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.595 -1.184 . . . . 63.34 110.874 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.15 -18.33 29.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 74.12 112.028 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.673 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -57.58 -49.58 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.092 0.472 . . . . 74.35 109.967 173.35 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.01 -22.01 62.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.384 -0.826 . . . . 71.03 111.006 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.74 -26.99 29.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.3 110.741 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.87 0.75 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.731 -0.747 . . . . 75.2 113.741 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -129.06 148.24 50.99 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.667 -0.864 . . . . 72.21 108.667 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.628 ' HA ' ' NZ ' ' A' ' 98' ' ' LYS . 10.6 pt20 -117.08 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.287 -0.565 . . . . 75.43 112.417 -175.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.589 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 28.7 mt 66.55 148.46 0.11 Allowed Pre-proline 0 N--CA 1.468 0.445 0 C-N-CA 123.211 0.604 . . . . 73.22 111.529 -170.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 3.1 Cg_endo -87.26 -164.7 0.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.256 2.637 . . . . 61.12 111.116 171.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.526 ' HA ' HD21 ' A' ' 74' ' ' LEU . 5.9 p -73.27 -5.19 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.437 0.637 . . . . 64.32 111.267 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.06 100.35 12.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.587 -0.733 . . . . 70.41 111.061 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.802 ' HG ' HD22 ' A' ' 74' ' ' LEU . 24.9 mt -71.18 144.36 89.66 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.624 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 17.2 Cg_exo -68.79 151.94 74.14 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.373 2.049 . . . . 61.41 111.857 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 11.1 Cg_exo -72.11 -19.58 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 123.108 2.539 . . . . 71.25 112.438 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.93 -18.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.77 -0.65 . . . . 64.32 110.702 -174.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 70.2 mtp -92.0 -21.14 20.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 61.13 110.565 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -74.28 -31.34 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.858 -0.61 . . . . 75.32 111.565 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.97 149.36 11.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.703 0.764 . . . . 55.44 112.478 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.663 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 6.1 tp-100 -129.26 -55.49 0.03 OUTLIER Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 114.844 -1.071 . . . . 74.41 110.14 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 115' ' ' GLN . 83.0 Cg_endo -85.63 152.95 10.27 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.916 1.744 . . . . 54.11 111.66 173.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 30.2 m -81.03 140.44 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.845 0.355 . . . . 73.11 110.61 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.86 -74.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 75.04 111.168 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 60.2 mt -98.54 -43.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 73.31 110.11 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -148.77 -58.65 0.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.718 -0.674 . . . . 75.3 109.419 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.249 1.069 0 N-CA-C 108.32 -0.993 . . . . 64.33 108.32 175.051 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.952 0.406 . . . . 73.25 110.048 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.29 -133.14 3.45 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.788 -0.72 . . . . 41.13 112.095 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 m80 63.2 38.03 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.774 0.43 . . . . 71.31 111.499 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -83.26 109.53 17.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 60.1 109.429 172.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -126.81 148.46 49.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.132 -0.485 . . . . 61.34 110.917 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -146.06 112.83 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 75.25 110.411 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.22 113.64 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.213 -0.449 . . . . 71.53 110.975 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -175.76 142.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.51 -0.552 . . . . 54.4 109.51 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 m -135.64 91.15 2.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.17 0.509 . . . . 63.45 110.293 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -107.34 103.45 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 74.44 110.596 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 87.2 mtp -122.4 78.3 1.49 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 74.42 109.333 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.56 99.27 3.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 42.34 110.137 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -137.44 107.63 6.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.928 -0.578 . . . . 74.21 110.496 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -106.89 138.08 19.69 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.743 -0.662 . . . . 61.54 109.72 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.2 141.49 63.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 44.23 112.267 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.48 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.2 p -85.24 132.87 43.92 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 64.1 111.12 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 10.2 Cg_endo -90.64 -168.47 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.489 2.793 . . . . 73.12 112.536 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -139.57 -178.39 5.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 71.04 110.195 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.36 98.94 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.021 -0.609 . . . . 51.54 111.659 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.67 -63.28 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.216 -0.992 . . . . 63.32 113.147 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 m -68.46 -1.45 6.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 44.52 112.777 -172.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.2 pt? -128.52 -15.75 4.46 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.228 0.537 . . . . 75.14 110.963 -178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -112.15 21.93 15.32 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.595 -0.73 . . . . 72.3 110.7 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -61.07 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 73.52 111.369 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.468 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 53.8 m95 -100.4 -24.14 14.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.221 0.534 . . . . 70.44 110.68 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.0 116.14 6.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.474 -0.784 . . . . 75.43 111.948 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -92.69 88.76 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.585 0.707 . . . . 71.43 109.19 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -172.96 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.159 -0.928 . . . . 73.34 111.36 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.31 -41.11 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 62.4 110.766 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.14 -32.89 74.38 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.621 0.248 . . . . 44.52 110.77 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HE1' ' A' ' 92' ' ' MET . 32.6 mm-40 -71.5 -36.88 71.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.388 0.613 . . . . 74.33 109.494 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -63.24 -48.66 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.702 -0.681 . . . . 74.04 110.119 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.05 78.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.996 -0.547 . . . . 60.05 110.62 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.09 -48.28 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 62.01 111.837 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -64.53 -32.59 74.29 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 119.959 -0.697 . . . . 75.43 109.176 -175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.49 -50.13 66.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.321 -0.854 . . . . 71.54 111.42 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.35 -42.04 90.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.169 0.509 . . . . 75.42 110.923 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.56 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -71.1 -40.06 71.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.853 -0.612 . . . . 71.21 110.562 178.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.823 ' HE1' HG23 ' A' ' 49' ' ' ILE . 12.6 t80 -55.43 -46.04 76.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 75.42 110.042 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -59.81 -43.11 94.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.132 -0.94 . . . . 73.23 111.272 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -75.26 -19.13 59.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.883 -0.598 . . . . 51.33 112.354 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 38' ' ' GLN . 59.3 mt -79.89 1.78 25.87 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.392 0.516 . . . . 73.01 112.392 -174.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 60.37 66.2 1.98 Allowed Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 109.752 -0.462 . . . . 52.22 109.752 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.67 147.17 81.12 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.861 1.708 . . . . 75.3 111.918 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.4 mt -76.67 95.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.167 -0.679 . . . . 71.45 109.167 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m 66.97 -69.89 0.12 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.853 0.721 . . . . 74.51 111.328 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.58 17.1 0.75 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.58 -0.819 . . . . 31.44 112.758 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.9 173.02 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.533 0.206 . . . . 73.11 110.531 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.823 HG23 ' HE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -124.67 -177.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.875 -0.417 . . . . 63.5 109.875 174.466 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.745 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.4 m -141.93 -173.24 3.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.359 -0.608 . . . . 71.45 109.359 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 50' ' ' THR . . . -54.33 -42.01 73.0 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.562 -0.351 . . . . 72.53 113.479 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.681 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 6.8 m-20 -61.55 -42.39 98.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.042 0.421 . . . . 64.21 111.568 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 10.5 mm100 -65.97 -37.14 85.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.805 -0.443 . . . . 74.05 109.805 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.11 96.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 74.2 110.314 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HD2' ' HA ' ' A' ' 52' ' ' ASP . 98.1 mtt180 -52.51 -50.54 62.59 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.63 -0.714 . . . . 74.31 111.2 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 27.6 t-20 -64.6 -44.89 89.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 74.02 111.315 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 42' ' ' LEU . 67.8 t80 -56.99 -49.57 75.35 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.803 0.335 . . . . 72.31 110.996 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 95' ' ' ILE . 12.9 m-30 -65.18 -43.86 90.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.258 -0.428 . . . . 63.31 110.478 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.454 ' HD1' HD11 ' A' ' 68' ' ' LEU . 63.5 t80 -67.0 -39.49 87.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.221 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -59.79 -22.91 62.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 72.53 111.024 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 m -80.01 -8.44 59.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.419 . . . . 73.43 111.37 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.01 43.16 5.13 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.616 -0.802 . . . . 73.54 112.64 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 HG11 ' A' ' 67' ' ' VAL . 66.9 mt -119.25 143.87 35.12 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 122.867 -0.196 . . . . 73.15 110.513 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.575 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 40.6 Cg_endo -70.77 163.06 40.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.854 2.369 . . . . 74.31 113.123 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.713 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 23.5 tt0 -53.1 -55.16 36.61 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 113.404 0.89 . . . . 74.01 113.404 -172.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 65' ' ' GLN . 35.0 Cg_exo -60.9 -31.35 91.48 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 121.988 1.792 . . . . 63.21 112.341 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG13 ' HD3' ' A' ' 98' ' ' LYS . 53.3 t -71.71 -35.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 62.54 110.713 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 46.7 mt -60.25 -48.25 82.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.587 0.708 . . . . 74.01 109.91 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.77 -37.85 77.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 75.11 111.333 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.529 HE21 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -60.34 -44.88 95.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.401 178.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 98' ' ' LYS . 38.0 mt -66.34 -46.11 87.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.461 -0.336 . . . . 73.51 110.363 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -62.12 -44.79 95.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.916 -0.584 . . . . 74.42 111.33 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.45 71.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.981 0.419 . . . . 63.44 111.655 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.739 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.9 mp -88.03 -27.85 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 65.43 112.121 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -62.73 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.42 0.526 . . . . 64.44 112.42 -170.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.781 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 p-10 -84.08 94.39 8.32 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.746 0.784 . . . . 54.32 110.023 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.8 ptp -59.27 -30.75 68.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.649 -1.159 . . . . 54.22 111.778 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -68.29 -13.03 61.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.734 -0.666 . . . . 73.02 110.29 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.8 t30 46.74 67.85 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.111 -0.95 . . . . 64.43 111.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -105.09 -15.99 14.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.335 -0.848 . . . . 73.35 109.694 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.0 36.09 64.59 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.855 -0.898 . . . . 74.12 110.855 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 50' ' ' THR . 70.6 ttt180 -146.29 -44.69 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.107 -0.546 . . . . 72.31 109.95 -173.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 15.1 ptp 56.09 115.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 125.341 1.651 . . . . 72.32 112.499 -177.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.45 175.2 10.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.425 -0.954 . . . . 74.51 108.425 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 8.7 mm100 -56.09 -23.61 34.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.088 0.773 . . . . 52.33 113.088 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.44 -54.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.612 -0.514 . . . . 74.31 109.612 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.781 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.0 mp0 -66.62 -28.66 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 61.14 110.729 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 93.5 t80 -67.47 -38.94 85.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.988 0.423 . . . . 74.12 110.478 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -66.72 -36.17 81.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.901 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 87' ' ' GLU . 17.0 tt -79.78 -30.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.37 -0.377 . . . . 70.14 110.651 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -72.96 -37.26 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.583 -0.281 . . . . 72.11 111.508 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.433 ' HE1' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -72.19 -24.97 61.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.019 0.437 . . . . 71.31 110.258 -179.407 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -76.6 -37.17 56.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 75.33 110.099 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' OH ' ' A' ' 102' ' ' TYR . 1.2 mp -59.42 -34.64 72.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.638 -0.71 . . . . 73.45 111.317 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.743 HD13 HD13 ' A' ' 71' ' ' ILE . 37.0 mm -56.02 -45.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 74.34 111.865 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 96' ' ' LYS . 7.4 tmtm? -61.69 -42.74 99.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.504 -0.317 . . . . 74.22 110.309 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 tp -79.13 -26.86 42.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.211 0.529 . . . . 73.14 110.293 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.776 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.3 -31.31 67.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.5 178.335 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.81 -19.34 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 72.21 110.546 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -86.18 -17.03 35.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 72.12 110.535 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.68 45.18 6.92 Favored Glycine 0 C--O 1.226 -0.351 0 C-N-CA 121.119 -0.562 . . . . 73.14 113.186 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.42 ' OH ' ' HG ' ' A' ' 94' ' ' LEU . 5.0 p90 -81.64 170.09 16.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.125 0.462 . . . . 64.54 110.42 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -130.03 134.12 47.19 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.74 -0.663 . . . . 61.12 110.474 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.2 tp -159.33 144.23 11.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 75.34 109.617 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.74 178.65 5.51 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.754 2.303 . . . . 44.23 111.758 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.739 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 40.2 m -66.39 -15.3 63.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.96 0.41 . . . . 45.54 111.236 -174.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.82 86.7 7.32 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.193 0.52 . . . . 73.35 110.861 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -78.79 150.58 75.75 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.705 -0.679 . . . . 71.52 109.963 174.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.45 152.25 78.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.462 2.108 . . . . 54.41 113.08 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 60.9 Cg_endo -74.22 -5.74 17.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.982 2.455 . . . . 75.2 112.192 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.88 -27.22 29.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.319 0.58 . . . . 71.1 110.215 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' A' ' 25' ' ' TRP . 44.2 mtp -84.42 -48.87 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 73.24 110.66 -178.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 6.9 ptpt -69.64 -19.28 63.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.399 -0.364 . . . . 73.31 110.196 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 61.27 -164.57 0.24 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.223 -0.898 . . . . 74.45 109.982 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -109.02 99.09 33.73 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 109.179 -0.674 . . . . 63.33 109.179 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.39 144.9 81.68 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.6 2.2 . . . . 74.11 111.961 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.78 126.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.573 . . . . 64.12 111.262 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.29 86.46 5.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.561 . . . . 62.02 109.898 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.54 122.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.562 -0.745 . . . . 74.23 112.087 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 p -106.48 177.07 4.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 54.33 110.147 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.468 -0.777 . . . . 44.44 110.306 178.702 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.808 0.337 . . . . 54.12 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.64 -102.51 0.97 Allowed Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.821 -0.627 . . . . 54.23 113.924 169.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -4.91 15.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.956 0.725 . . . . 72.42 112.956 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.98 133.91 18.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.406 -0.22 . . . . 75.24 110.406 176.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -136.06 150.35 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.187 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.19 178.22 6.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.115 -0.493 . . . . 72.01 110.556 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -118.3 -176.62 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.907 0.336 . . . . 73.32 111.907 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 76.32 -55.12 0.59 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.057 0.943 . . . . 75.14 110.556 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -80.45 87.64 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.687 -0.857 . . . . 75.14 108.687 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -124.85 102.0 7.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.531 -0.759 . . . . 71.3 110.011 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 83.4 mtp -78.05 116.09 18.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.138 -0.483 . . . . 70.15 110.556 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.25 168.16 21.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.0 -0.546 . . . . 71.21 110.546 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -99.41 172.76 7.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.313 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 68.1 m-85 -77.98 138.81 61.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.367 . . . . 75.51 111.056 -175.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 12.6 Cg_exo -70.51 140.49 39.99 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.892 2.395 . . . . 71.42 111.937 176.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.531 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 17.5 p -100.03 169.38 8.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.981 -0.554 . . . . 72.24 110.649 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 16' ' ' THR . 72.1 Cg_exo -52.31 111.97 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.125 2.55 . . . . 72.22 113.354 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.14 21.07 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 72.31 110.565 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.37 -131.16 4.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 44.54 112.437 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.73 84.92 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.502 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -90.09 113.57 25.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.995 0.426 . . . . 74.3 110.74 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.5 mt -99.9 -13.36 19.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.118 0.485 . . . . 74.21 111.267 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.2 15.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 74.42 111.413 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m -62.22 -33.55 74.8 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.083 0.401 . . . . 61.53 112.083 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -91.0 8.77 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 65.41 111.541 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.87 -170.01 1.59 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.155 -0.93 . . . . 31.11 109.628 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -128.7 97.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.515 0.674 . . . . 72.41 109.639 171.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -65.46 158.17 27.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.773 -1.103 . . . . 72.13 109.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.96 -30.22 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.972 0.415 . . . . 64.22 110.231 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.81 -46.67 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 71.53 110.18 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 46.6 mt-10 -66.5 -32.97 74.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.049 0.452 . . . . 73.32 110.237 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -66.18 -38.91 89.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.499 . . . . 71.33 110.1 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.01 56.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 73.53 110.771 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 2.5 tmtm? -60.23 -26.75 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.564 -0.744 . . . . 64.04 110.865 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 8.4 p-80 -58.41 -34.43 70.75 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.864 -0.421 . . . . 73.22 109.864 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.64 -48.46 74.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 52.02 110.253 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.04 -45.36 93.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 54.52 111.015 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HG2' ' HB2' ' A' ' 92' ' ' MET . 3.6 tp-100 -67.6 -50.84 56.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 75.31 110.523 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.785 ' HE1' HG23 ' A' ' 49' ' ' ILE . 3.9 t80 -64.12 -35.43 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 74.44 110.978 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -66.32 -34.41 77.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 72.44 110.201 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 m -75.91 -17.5 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 72.42 111.828 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.8 tt -73.44 -19.65 60.91 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.74 -0.467 . . . . 64.14 109.74 177.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 75.48 0.36 Allowed Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.316 -0.856 . . . . 75.1 110.306 -171.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 10.2 Cg_endo -58.0 136.7 76.75 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.497 2.131 . . . . 74.24 111.591 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.1 tt -66.36 -35.28 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.691 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.64 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -156.55 44.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.749 0.785 . . . . 52.12 109.112 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.86 -1.68 87.93 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.472 -0.785 . . . . 52.32 112.439 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.64 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.4 p90 -143.99 170.1 16.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.656 -0.498 . . . . 72.45 109.656 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.785 HG23 ' HE1' ' A' ' 39' ' ' PHE . 2.3 pt -123.51 179.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 65.12 110.201 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -158.58 -174.63 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.853 -0.795 . . . . 61.34 108.853 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -54.07 -37.68 59.17 Favored Glycine 0 C--N 1.333 0.407 0 O-C-N 123.296 0.373 . . . . 72.32 112.815 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.74 -53.53 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 111.435 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -72.01 -29.74 64.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 71.54 110.901 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.47 94.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 71.13 110.14 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 39.6 mmt180 -58.05 -49.81 75.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 53.41 111.025 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.1 -48.48 79.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.955 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.26 -52.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.516 -0.311 . . . . 70.14 110.824 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 3.9 m-85 -59.19 -47.05 86.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.074 -0.512 . . . . 62.42 111.578 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.6 -38.64 87.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.047 0.451 . . . . 75.14 110.626 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -72.33 -12.01 60.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.046 -0.525 . . . . 65.35 110.76 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -20.98 61.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.252 -0.431 . . . . 63.13 110.31 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.54 8.46 64.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 52.4 112.807 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 68' ' ' LEU . 92.7 mt -90.84 144.29 30.03 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.58 -0.155 . . . . 64.14 110.58 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 36.7 Cg_exo -61.94 158.18 39.82 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.952 2.434 . . . . 70.3 112.513 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 47.4 mt-30 -55.77 -52.81 69.18 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.808 0.67 . . . . 72.24 112.808 -175.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.04 -38.22 92.68 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 121.837 1.692 . . . . 75.12 111.923 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.582 HG13 ' HD2' ' A' ' 98' ' ' LYS . 72.8 t -62.38 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.814 . . . . 63.02 110.766 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 63' ' ' LEU . 96.4 mt -69.7 -48.22 60.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.803 -0.635 . . . . 65.43 110.901 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.7 70.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.509 -0.769 . . . . 75.31 111.101 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.79 -41.24 95.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 71.31 110.314 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 95' ' ' ILE . 67.4 mt -74.92 -40.46 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 54.21 110.808 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.464 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 18.3 t90 -65.11 -40.31 94.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.473 -0.33 . . . . 74.03 110.504 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.9 -17.82 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 64.22 110.734 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 108' ' ' LEU . 12.6 mt -92.52 -37.69 12.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.338 -0.846 . . . . 75.23 112.354 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.86 -63.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.017 0.377 . . . . 62.15 112.017 -169.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.681 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 14.9 p-10 -83.66 93.91 8.0 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.991 0.9 . . . . 74.31 108.872 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -61.14 -29.77 69.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.166 -1.379 . . . . 71.04 111.924 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -82.19 -7.57 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.049 0.452 . . . . 72.24 110.058 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.468 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 65.3 t30 49.67 72.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.855 -1.066 . . . . 72.52 110.684 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.45 -19.79 21.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.883 -1.053 . . . . 61.34 109.578 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 73.55 39.02 50.84 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.712 -0.677 . . . . 44.45 112.013 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HE ' ' HB2' ' A' ' 84' ' ' ASP . 14.7 ptm180 -121.04 -51.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.894 0.378 . . . . 74.45 111.514 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.442 ' N ' ' HG3' ' A' ' 82' ' ' ARG . 48.0 ttm 55.11 81.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.959 -1.019 . . . . 64.34 110.258 -170.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.469 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 4.9 t70 -83.77 -173.17 4.56 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.422 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -18.89 64.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.043 0.449 . . . . 72.33 110.404 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.02 -55.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.814 -0.63 . . . . 73.3 110.07 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 3.4 mp0 -64.04 -42.69 96.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.408 -0.36 . . . . 75.11 110.736 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.83 -32.17 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 65.02 111.122 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.42 -30.29 71.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.713 0.292 . . . . 61.3 111.223 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.457 HD13 HD21 ' A' ' 108' ' ' LEU . 19.7 tt -98.79 -27.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.427 . . . . 74.13 110.835 -178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.74 35.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 72.04 111.979 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 35' ' ' HIS . 22.3 ptt? -57.07 -38.4 73.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.616 -0.265 . . . . 74.13 111.551 -176.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -85.26 -15.8 42.29 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.623 -0.431 . . . . 62.44 110.9 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -41.38 71.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.677 -0.49 . . . . 71.33 109.677 174.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 71' ' ' ILE . 31.8 mm -61.12 -40.91 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.367 -0.605 . . . . 63.13 109.367 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 14.6 tmtt? -60.39 -48.12 83.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.018 -0.992 . . . . 72.44 110.955 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.69 -24.97 53.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.962 0.41 . . . . 72.24 111.059 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.582 ' HD2' HG13 ' A' ' 67' ' ' VAL . 16.1 tppt? -70.89 -36.95 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.79 0.329 . . . . 75.24 110.227 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.11 -21.52 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 52.42 110.576 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 68.5 mm-40 -91.49 -12.25 35.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.532 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.11 17.41 20.5 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.794 -0.717 . . . . 64.3 113.645 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -86.51 159.09 19.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.342 0.591 . . . . 75.34 111.028 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -136.21 145.79 46.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.657 -0.701 . . . . 54.22 110.871 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.3 pt? -151.55 144.65 17.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.445 -0.946 . . . . 71.12 108.445 172.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 6.2 Cg_exo -77.36 -168.53 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.02 2.48 . . . . 74.23 112.855 -175.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 p -75.33 -1.24 22.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.401 0.619 . . . . 62.13 111.074 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.7 94.16 7.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 42.44 109.979 174.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 74' ' ' LEU . 13.6 tp -63.07 141.53 97.72 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.131 -0.692 . . . . 62.25 109.131 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 28.0 Cg_exo -63.85 150.9 87.37 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.055 1.837 . . . . 71.35 112.659 -174.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 3.1 Cg_exo -77.31 -25.28 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 123.093 2.529 . . . . 73.32 111.904 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.85 -22.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.929 -0.578 . . . . 72.11 110.767 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.73 -36.93 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.007 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.31 -21.8 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.915 -0.314 . . . . 72.12 110.502 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 57.19 -155.66 0.32 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.752 -0.658 . . . . 65.15 109.708 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -110.02 102.66 51.51 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.246 -0.65 . . . . 64.51 109.246 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.1 159.28 54.53 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.661 2.241 . . . . 61.02 112.251 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 9.2 m -88.05 100.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.768 0.794 . . . . 74.43 110.264 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.91 94.92 4.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.504 -0.771 . . . . 53.55 110.912 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 119' ' ' ILE . 4.1 mp -119.22 76.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.868 . . . . 54.02 108.655 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 t -100.15 -9.32 22.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 64.44 110.204 -175.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.429 -0.796 . . . . 43.41 110.417 177.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.911 0.386 . . . . 74.03 110.383 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.16 119.14 0.56 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.827 -0.701 . . . . 72.12 111.95 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -101.94 105.42 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.408 0.623 . . . . 74.32 109.715 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -70.24 140.54 52.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.918 -1.037 . . . . 65.45 111.627 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -132.59 122.93 25.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 64.44 109.731 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -92.89 119.76 32.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 62.03 110.627 -173.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -88.44 138.4 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 72.23 111.686 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -131.39 142.63 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.879 -0.6 . . . . 65.12 110.394 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 m -161.38 151.01 16.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 75.31 111.021 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -129.25 178.66 6.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.12 109.152 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.4 ptp -166.03 119.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.214 0.53 . . . . 70.35 110.159 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.64 90.95 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 64.22 110.635 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.86 114.6 28.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.808 -0.633 . . . . 60.3 110.509 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -113.64 134.4 22.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.068 -0.515 . . . . 70.44 110.235 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 161.93 43.57 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.832 2.355 . . . . 75.3 112.532 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -133.48 128.78 20.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.97 0.414 . . . . 64.43 110.513 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.66 151.15 16.93 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.779 2.319 . . . . 71.31 112.415 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -116.78 164.52 14.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.313 -0.858 . . . . 73.32 109.357 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.29 -155.61 26.95 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.236 -0.983 . . . . 51.55 112.381 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.07 170.13 13.35 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 74.3 111.649 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -136.66 97.81 3.64 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.499 -0.556 . . . . 72.43 109.499 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.5 mt -135.16 172.74 12.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 71.43 110.415 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 49.81 61.24 3.27 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.821 0.7 . . . . 74.34 111.82 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.6 m -97.89 -43.12 7.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.89 -0.595 . . . . 63.35 109.979 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.69 ' HH2' HD11 ' A' ' 104' ' ' LEU . 96.9 m95 -89.18 -19.84 24.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 74.3 111.007 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.03 141.41 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.046 -0.525 . . . . 75.14 110.431 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -87.64 97.56 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.259 0.552 . . . . 73.53 110.081 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.74 169.29 17.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.224 -0.898 . . . . 51.5 110.443 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -53.02 -41.47 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.511 0.196 . . . . 60.33 110.608 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.66 -49.07 77.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 71.55 110.772 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.894 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 7.7 mm-40 -62.33 -32.88 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 61.14 111.004 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -73.7 -49.89 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.98 -0.555 . . . . 75.34 110.284 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.89 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.447 0.536 . . . . 64.43 112.447 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.894 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 16.5 ptmt -62.94 -25.16 68.21 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 111.727 0.269 . . . . 63.11 111.727 -174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 10.6 p-80 -61.5 -32.31 72.34 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 74.31 110.728 -177.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.41 -52.72 62.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.391 -0.822 . . . . 65.1 111.714 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -68.68 -42.09 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 72.3 111.718 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.725 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . 2.3 mp0 -67.22 -38.56 85.47 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.121 -0.231 . . . . 74.5 111.343 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -60.13 -43.0 96.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.283 0.563 . . . . 75.22 109.616 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -55.45 -35.29 65.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.342 -0.844 . . . . 71.12 111.408 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 m -73.75 -17.84 61.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.779 0.659 . . . . 43.41 112.779 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 57' ' ' PHE . 58.0 mt -91.52 3.07 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.261 -0.275 . . . . 75.51 111.556 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 59.26 70.46 1.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.691 -0.686 . . . . 74.41 111.605 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 30.3 Cg_endo -65.58 134.86 39.84 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.024 1.816 . . . . 51.1 111.494 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.1 mp -74.8 -76.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.163 -0.471 . . . . 74.5 109.983 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.8 m -115.87 28.31 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.312 0.577 . . . . 74.52 109.95 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.57 55.26 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.507 -0.769 . . . . 64.23 111.993 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -128.39 151.79 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 74.12 110.57 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -137.79 -178.27 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.543 -0.753 . . . . 72.31 109.174 175.393 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 52' ' ' ASP . 15.1 t -136.43 -172.29 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.614 -0.513 . . . . 74.33 109.614 176.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 54' ' ' ALA . . . -60.6 -22.95 60.06 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.498 -0.382 . . . . 73.42 113.474 -175.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' H ' HG23 ' A' ' 50' ' ' THR . 34.9 t70 -67.1 -43.66 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.821 0.31 . . . . 73.24 110.924 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.03 -38.44 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 63.32 110.088 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -58.56 -40.93 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 65.34 111.878 -177.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 13.3 ptp180 -63.22 -36.66 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.675 0.274 . . . . 60.31 110.954 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.98 -30.15 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 75.53 110.3 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.725 ' HE1' ' HB3' ' A' ' 38' ' ' GLN . 66.1 t80 -57.43 -59.44 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.679 -0.691 . . . . 75.42 111.542 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 14.3 p90 -78.28 -26.42 47.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 72.31 111.119 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -64.42 -39.8 94.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.024 0.44 . . . . 71.42 110.177 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.8 -23.64 65.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 62.53 110.758 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.9 t -61.23 -47.38 86.35 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.489 -0.323 . . . . 74.21 110.847 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.85 30.27 5.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.579 -0.819 . . . . 70.11 113.05 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.5 mt -97.06 157.93 34.16 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.962 -0.384 . . . . 51.11 109.962 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 31.8 Cg_exo -59.87 151.14 73.44 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.67 2.247 . . . . 40.55 112.324 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mp0 -51.25 -50.89 73.25 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.109 0.781 . . . . 72.13 113.109 -176.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.5 Cg_exo -56.62 -34.15 94.91 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.064 1.843 . . . . 62.54 112.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 59.0 t -74.8 -37.33 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.229 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 82.4 mt -62.09 -49.9 74.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.546 -0.752 . . . . 73.51 111.06 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.35 76.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.707 -0.679 . . . . 74.21 110.88 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -64.84 -40.98 96.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.893 -0.594 . . . . 73.23 110.307 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.555 ' HA ' HD23 ' A' ' 94' ' ' LEU . 27.7 mt -55.76 -54.36 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.314 -0.403 . . . . 74.51 110.868 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.78 -47.6 82.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.702 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.86 70.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 73.03 111.553 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 74' ' ' LEU . 3.9 mt -79.23 -31.49 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.575 . . . . 74.52 111.628 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 -63.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.471 -173.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 27.7 p-10 -85.35 86.23 7.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.804 0.811 . . . . 73.03 109.543 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.52 -29.26 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.883 -1.053 . . . . 75.54 111.196 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -71.67 -11.38 60.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 73.14 110.683 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.9 t30 54.83 72.18 0.49 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.9 0.857 . . . . 75.2 109.212 -171.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 15.8 t70 -87.39 -39.34 15.36 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.548 -1.206 . . . . 61.13 109.828 -170.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.19 -12.32 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 71.41 111.93 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -119.88 -29.24 5.02 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.586 -0.524 . . . . 74.5 109.586 176.578 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 ttp 67.64 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.522 -1.217 . . . . 74.31 109.805 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.14 -179.1 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.953 -1.021 . . . . 72.13 110.225 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.64 -47.21 73.78 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.976 0.732 . . . . 71.54 112.976 -169.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.88 -44.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 65.31 110.514 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.582 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 6.2 mp0 -66.68 -41.02 88.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.755 -0.657 . . . . 73.5 110.543 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.88 -31.92 72.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.815 -0.629 . . . . 74.24 110.9 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -72.1 -30.99 65.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.474 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 87' ' ' GLU . 12.7 tt -81.45 -21.0 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 74.23 111.011 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.0 -16.87 63.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 74.03 111.078 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 25.7 mmt -59.31 -31.12 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 70.11 111.601 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.818 ' HG2' HD23 ' A' ' 97' ' ' LEU . 23.6 ttmm -83.31 -37.56 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.431 -0.35 . . . . 72.33 110.691 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -59.79 -42.11 92.68 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 121.205 -0.198 . . . . 73.31 111.186 -177.469 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.506 HG13 ' HE2' ' A' ' 57' ' ' PHE . 34.2 mm -59.92 -41.48 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 70.22 109.945 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 13.1 tmtt? -69.15 -44.8 71.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.222 -0.899 . . . . 64.14 110.662 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.818 HD23 ' HG2' ' A' ' 93' ' ' LYS . 4.4 pp -77.44 -33.21 54.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 73.14 112.007 -176.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 103' ' ' GLN . 38.3 mttp -68.71 -35.3 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.963 -0.295 . . . . 74.22 111.098 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.22 -23.26 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.361 . . . . 71.13 110.667 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 27.4 mm-40 -83.05 -19.24 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 75.45 110.605 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.44 63.88 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.575 -0.821 . . . . 41.32 113.107 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -144.34 162.24 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.207 -0.294 . . . . 73.42 110.207 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.528 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 63.7 tt0 -129.37 -45.93 1.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.221 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HH2' ' A' ' 25' ' ' TRP . 10.0 mp 72.76 158.58 0.16 Allowed Pre-proline 0 N--CA 1.47 0.553 0 O-C-N 123.764 0.665 . . . . 74.43 112.008 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.0 -163.69 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.999 2.466 . . . . 65.42 111.764 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 p -85.75 8.59 19.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.487 0.661 . . . . 73.11 111.195 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.61 114.32 11.9 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.007 -0.997 . . . . 65.12 110.523 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.93 155.79 75.08 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.503 -0.317 . . . . 75.04 110.927 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.07 153.8 30.77 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.982 2.454 . . . . 74.15 113.185 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 31.7 Cg_endo -63.25 -20.25 70.26 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.261 2.641 . . . . 65.13 112.851 -177.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.5 -29.47 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 75.22 110.672 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.8 mtp -79.14 -36.93 39.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.883 -0.327 . . . . 62.0 110.648 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 20.3 ptmt -82.98 -7.28 59.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 75.51 110.121 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.29 178.98 0.21 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.97 -1.013 . . . . 72.32 112.392 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -88.52 129.78 47.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.153 -0.931 . . . . 75.43 109.347 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.21 115.8 2.62 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 75.13 113.087 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.57 167.99 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.901 -1.045 . . . . 60.35 110.002 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 55.18 31.29 16.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.171 0.51 . . . . 62.43 111.108 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.5 tt -99.94 133.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.804 -0.635 . . . . 64.25 110.952 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -87.25 172.37 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.993 -0.549 . . . . 75.3 110.74 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.849 -0.596 . . . . 73.54 110.35 179.353 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.004 -0.369 . . . . 73.05 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.25 70.02 0.26 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.062 -0.589 . . . . 74.51 112.159 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -92.92 133.95 35.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.999 0.428 . . . . 71.23 111.232 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -126.41 69.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 73.11 110.238 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -85.82 94.3 9.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.554 -0.535 . . . . 74.11 109.554 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -137.25 -60.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 74.3 110.606 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.5 m170 62.61 178.05 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.656 . . . . 71.43 111.576 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 m170 59.7 79.23 0.24 Allowed 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.492 -0.558 . . . . 72.14 109.492 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -121.16 96.37 5.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 70.22 111.932 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -102.22 -66.11 0.95 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.677 -0.86 . . . . 74.55 108.677 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.7 mtt 42.29 89.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.294 0.996 . . . . 62.44 113.62 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.26 84.29 2.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.903 0.382 . . . . 72.35 110.267 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.97 168.81 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 64.2 110.159 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -122.82 91.43 49.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.977 0.418 . . . . 73.12 111.225 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -83.43 158.24 14.66 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.081 2.521 . . . . 73.14 110.329 170.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -156.83 133.84 6.56 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-O 120.846 0.355 . . . . 60.01 110.933 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.71 171.76 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.763 2.309 . . . . 65.31 111.672 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.46 140.57 30.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.933 0.397 . . . . 72.45 110.941 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.83 62.52 0.69 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 71.21 111.988 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.46 71.25 3.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.007 -0.616 . . . . 64.14 112.294 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 15.0 m -123.18 179.84 4.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 71.51 109.947 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 21' ' ' SER . 61.5 tp 73.69 138.89 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.742 0.651 . . . . 75.13 112.08 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.17 33.49 20.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.45 -0.796 . . . . 62.14 112.31 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -69.62 -22.49 63.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 75.42 110.274 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' HH2' HD23 ' A' ' 104' ' ' LEU . 42.3 m95 -78.87 -2.38 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 73.32 111.201 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.7 164.24 11.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.946 -0.57 . . . . 75.43 110.1 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.7 mt -91.37 90.53 3.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 74.5 110.24 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -70.23 162.33 28.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.517 -0.765 . . . . 71.12 110.324 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.56 -35.83 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 71.14 110.475 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.99 -44.81 95.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 72.41 110.033 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 92' ' ' MET . 16.5 mm-40 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 75.45 110.562 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 54.3 ttt-85 -65.43 -51.47 60.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 73.24 110.356 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.63 90.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 71.14 110.531 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.83 -51.92 66.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.903 -0.589 . . . . 63.44 111.927 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 9.8 p80 -61.99 -31.81 72.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.519 -0.472 . . . . 74.41 110.999 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.97 -44.35 73.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 74.44 110.269 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.3 -40.23 95.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.051 -0.522 . . . . 62.13 110.297 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.8 -46.57 88.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 71.22 109.648 177.662 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 4.8 t80 -60.43 -41.51 94.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.89 -1.05 . . . . 74.34 110.191 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -60.25 -40.28 89.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.435 -0.802 . . . . 75.54 110.583 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 m -75.3 -18.31 60.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.848 -0.615 . . . . 75.12 111.855 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 57' ' ' PHE . 74.1 mt -77.98 -12.6 60.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.67 -0.241 . . . . 65.35 110.782 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 13.0 mptt 66.15 80.99 0.22 Allowed Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 74.32 110.608 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 19.4 Cg_endo -59.34 149.08 83.43 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.946 2.431 . . . . 73.13 111.618 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 48' ' ' PHE . 11.3 tp -81.57 -32.59 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.044 0.449 . . . . 72.5 111.077 -175.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -163.75 45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.631 0.729 . . . . 72.2 109.171 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.04 -16.47 60.84 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.413 -0.812 . . . . 62.21 111.692 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.6 p90 -135.15 163.44 29.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.706 -0.479 . . . . 73.11 109.706 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.534 HG23 ' CZ ' ' A' ' 39' ' ' PHE . 41.8 pt -99.59 -164.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.727 -0.842 . . . . 52.24 108.727 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 12.2 t -147.96 177.32 9.45 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 120.459 -0.496 . . . . 60.12 110.036 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -55.0 -47.89 70.36 Favored Glycine 0 C--O 1.228 -0.25 0 O-C-N 123.352 0.408 . . . . 34.44 113.801 -173.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.56 -40.47 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.273 0.559 . . . . 74.32 110.517 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.6 -31.53 68.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 53.11 110.555 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.52 -47.33 79.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 72.24 110.113 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 94.9 mtt180 -59.56 -40.75 88.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.607 -0.724 . . . . 61.52 110.373 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -54.03 -50.74 66.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.572 -0.74 . . . . 73.32 111.063 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.572 ' HD2' HD21 ' A' ' 42' ' ' LEU . 59.4 t80 -57.39 -48.83 78.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.618 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.628 ' HB3' HD22 ' A' ' 68' ' ' LEU . 17.6 m-30 -61.57 -48.55 80.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 75.44 110.698 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -61.38 -41.05 96.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.981 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -69.37 -9.66 54.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.367 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -84.22 -16.48 43.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.421 -0.354 . . . . 62.34 111.053 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.18 38.21 6.85 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.623 -0.798 . . . . 41.03 113.216 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 71.4 mt -113.88 147.87 38.65 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.713 -0.286 . . . . 75.21 110.433 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 26.4 Cg_exo -63.96 158.9 44.9 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.855 2.37 . . . . 64.23 112.61 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.3 mt-30 -54.19 -53.09 62.82 Favored Pre-proline 0 N--CA 1.467 0.41 0 N-CA-C 112.997 0.74 . . . . 72.22 112.997 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -59.35 -21.58 61.45 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.211 1.941 . . . . 70.11 112.209 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 62.3 t -85.7 -44.59 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.052 -0.522 . . . . 73.41 109.928 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 58' ' ' PHE . 82.3 mt -56.02 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.43 0.633 . . . . 70.53 110.682 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.02 -0.991 . . . . 55.43 110.474 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' VAL . 23.1 tp60 -67.08 -45.21 77.97 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.645 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 95' ' ' ILE . 2.5 mp -69.95 -37.81 73.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.259 -0.577 . . . . 54.22 110.438 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -62.78 -46.84 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.963 -0.295 . . . . 75.24 110.27 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.62 67.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 70.42 110.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' A' ' 106' ' ' SER . 19.9 mt -80.18 -39.05 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 72.35 111.957 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -70.63 -71.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.622 0.601 . . . . 63.52 112.622 -168.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.773 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 4.0 p-10 -75.29 92.82 2.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 122.163 0.982 . . . . 73.12 109.524 178.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.4 mtm -62.29 -29.39 70.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.325 -1.307 . . . . 72.53 110.777 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 80' ' ' ASP . 1.5 p30 -83.23 -13.67 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 64.32 109.942 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.773 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 t-20 44.9 76.69 0.08 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.985 -1.007 . . . . 72.43 111.405 -175.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.531 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 9.3 p-10 -96.95 -36.66 10.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 61.14 110.529 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.51 6.5 38.36 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.694 -0.765 . . . . 73.4 112.676 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -121.34 -32.19 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.636 -0.505 . . . . 75.22 109.636 172.422 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.7 ttm 71.62 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.946 -1.025 . . . . 63.25 110.536 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' OD2' HG12 ' A' ' 86' ' ' VAL . 26.2 t70 -67.26 168.68 10.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.487 -0.779 . . . . 75.45 109.934 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.62 -33.89 75.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.334 -0.393 . . . . 64.13 110.593 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' OD2' ' A' ' 84' ' ' ASP . 9.2 p -69.55 -39.43 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.826 0.346 . . . . 52.42 110.282 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 4.2 mm-40 -68.71 -39.51 80.42 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.604 0.716 . . . . 72.3 109.341 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.2 -31.49 72.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.837 . . . . 75.35 111.081 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 m -59.83 -31.61 69.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 64.24 111.891 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' GLU . 17.3 tt -86.7 -26.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 34.53 110.767 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.58 -34.08 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 51.4 111.699 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.12 -23.25 67.35 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.509 0.559 . . . . 74.11 112.509 -173.473 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -100.4 -28.85 12.72 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.774 -0.37 . . . . 72.44 110.793 177.386 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.57 -38.57 84.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 64.31 111.75 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG12 HG21 ' A' ' 71' ' ' ILE . 15.7 mm -61.1 -49.45 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.37 . . . . 41.32 110.677 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 99' ' ' LEU . 56.6 mmtt -66.95 -35.1 79.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.264 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 17.4 tp -59.72 -40.55 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.7 -0.682 . . . . 64.14 110.327 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -67.37 -38.76 85.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.564 -0.744 . . . . 64.21 110.064 178.511 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 96' ' ' LYS . 74.0 mt -68.31 -29.95 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 64.1 111.226 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 14.0 mm100 -74.5 -13.35 60.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 70.01 110.952 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.51 40.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.884 -0.675 . . . . 71.42 113.185 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 86.8 m-85 -87.85 158.65 18.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.136 0.494 . . . . 74.01 110.421 178.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -87.24 138.4 31.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.76 -0.655 . . . . 43.34 110.626 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 ' HH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -168.32 88.4 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 74.11 109.997 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.54 -162.98 0.19 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 123.697 2.931 . . . . 71.15 112.702 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.72 ' HA ' HD21 ' A' ' 74' ' ' LEU . 2.8 p -69.96 -1.4 9.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.633 -0.712 . . . . 72.05 111.804 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.75 105.01 17.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.522 -0.763 . . . . 73.22 110.91 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 74' ' ' LEU . 21.7 mt -72.32 143.51 85.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.458 -0.337 . . . . 75.23 110.398 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 5.6 Cg_exo -75.15 153.51 41.15 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.921 2.414 . . . . 73.4 111.989 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -40.36 62.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.937 2.425 . . . . 72.34 112.658 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.1 -21.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 53.3 111.288 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.585 ' SD ' ' HD2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -89.59 -40.01 12.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.694 -0.685 . . . . 71.23 111.81 -178.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -46.04 18.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 73.0 111.433 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.672 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 26.7 mm-40 52.84 -152.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.224 0.327 . . . . 64.43 111.075 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 114' ' ' GLN . 5.7 pt20 61.5 165.79 0.1 Allowed Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.612 1.165 . . . . 72.23 112.907 170.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -76.94 133.76 14.05 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.733 2.289 . . . . 51.32 111.758 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.44 153.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.266 -0.425 . . . . 73.43 110.324 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.03 91.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.875 0.734 . . . . 62.15 111.003 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.1 mm -105.76 107.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.046 -0.525 . . . . 73.32 110.13 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 m -147.62 165.05 31.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.976 -0.556 . . . . 71.3 109.731 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.459 -0.781 . . . . 60.42 109.863 -177.762 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.058 -0.349 . . . . 65.41 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.15 24.65 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.577 -1.009 . . . . 74.5 110.577 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -77.86 88.02 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.38 0.61 . . . . 71.12 111.066 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -146.12 93.74 2.37 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.777 0.799 . . . . 74.42 109.079 172.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -143.8 100.37 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 74.42 109.896 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.89 125.86 32.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.472 -0.331 . . . . 71.34 110.794 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -153.4 147.84 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.48 -0.563 . . . . 74.31 109.48 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -120.34 131.13 54.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.334 -0.247 . . . . 73.35 110.334 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -142.67 142.87 32.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 64.22 111.416 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -137.89 126.03 22.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.548 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.1 ttt -140.27 87.87 2.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.054 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.01 120.91 33.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.859 -0.609 . . . . 72.13 110.576 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -152.13 105.04 3.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.753 -0.658 . . . . 75.44 109.796 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -125.52 115.51 25.14 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.853 0.359 . . . . 62.12 110.896 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.08 143.54 10.33 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.909 2.406 . . . . 72.54 112.478 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -133.6 89.11 32.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 74.22 111.529 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -90.39 -177.53 1.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.797 2.331 . . . . 72.21 112.708 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -152.48 151.25 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.629 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.76 -151.66 7.12 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.311 -0.716 . . . . 74.4 111.311 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.28 -165.56 39.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.599 -0.81 . . . . 71.11 112.279 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.2 m 65.63 23.65 11.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.13 0.491 . . . . 44.13 111.27 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.732 ' HG ' ' H ' ' A' ' 23' ' ' ASP . 15.8 tp -149.34 -172.46 4.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.888 -0.782 . . . . 73.0 108.888 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.732 ' H ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m-20 55.02 28.92 11.43 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 121.506 0.669 . . . . 75.42 110.631 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -75.12 -39.5 60.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.42 -0.809 . . . . 74.31 111.285 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -94.19 -20.68 19.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.972 0.415 . . . . 73.53 111.083 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.44 143.08 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.96 -0.564 . . . . 74.01 110.808 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -103.45 88.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 29' ' ' VAL . 1.8 m -75.63 176.5 7.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.017 -0.992 . . . . 74.43 110.128 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' THR . 57.7 t -54.65 -37.13 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.802 0.334 . . . . 54.14 111.073 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -64.4 -41.51 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 65.13 111.222 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 8.6 mm-40 -73.62 -30.73 63.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 74.31 110.485 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -67.36 -52.29 41.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.081 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -20.01 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 61.15 111.067 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 9.5 tptm -56.29 -39.29 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.825 . . . . 64.31 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -27.83 63.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.888 -0.597 . . . . 74.34 111.939 -174.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.77 -55.51 25.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.47 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -68.16 -42.91 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 71.12 110.408 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 92' ' ' MET . 84.6 mm-40 -58.44 -51.29 70.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 61.14 111.12 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.02 -36.18 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.072 -0.513 . . . . 75.52 110.853 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -71.02 -32.59 69.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.32 -0.4 . . . . 74.5 110.98 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -77.16 -19.38 56.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.467 -0.333 . . . . 73.2 110.682 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -71.05 -10.11 59.19 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.001 -0.545 . . . . 53.01 110.367 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 57.41 80.84 0.27 Allowed Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.15 111.945 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HB2' ' H ' ' A' ' 47' ' ' GLY . 43.2 Cg_endo -71.47 149.73 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.244 1.963 . . . . 74.24 111.447 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.46 -42.49 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.113 0.483 . . . . 74.12 110.439 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -155.66 14.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.371 0.605 . . . . 60.32 109.538 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 44' ' ' PRO . . . 126.17 -14.79 6.95 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.417 -0.81 . . . . 63.22 111.093 -171.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -117.24 159.76 22.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.912 -0.403 . . . . 54.22 109.912 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.629 ' HB ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 pp -131.75 -174.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.025 -0.534 . . . . 75.51 109.745 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.7 t -161.37 173.06 15.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.577 -0.449 . . . . 52.14 111.25 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.73 -45.16 96.83 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.027 -0.533 . . . . 72.33 113.671 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.73 -43.39 94.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 72.31 111.445 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' OE1' ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.94 -31.93 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.891 -0.323 . . . . 75.15 110.534 -179.174 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.4 90.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.878 0.371 . . . . 72.42 110.556 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -52.89 -43.78 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 62.31 111.354 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -70.73 -50.42 36.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.259 -0.428 . . . . 63.34 110.751 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -56.63 -49.15 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.802 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 68' ' ' LEU . 4.9 m-85 -59.01 -46.38 88.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 73.3 111.266 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' HA ' HD11 ' A' ' 68' ' ' LEU . 58.1 t80 -67.34 -31.02 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.065 0.459 . . . . 61.25 110.947 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.55 5.52 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.1 -0.5 . . . . 75.35 112.29 -178.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 99' ' ' LEU . 87.5 p -83.26 -31.02 27.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 74.31 110.01 175.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.81 9.95 15.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.847 -0.692 . . . . 61.44 112.483 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HB2' HD21 ' A' ' 68' ' ' LEU . 78.8 mt -99.88 144.45 28.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.299 -0.26 . . . . 64.22 110.299 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 23.6 Cg_exo -66.24 152.84 80.13 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.919 2.413 . . . . 75.44 112.121 175.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 78.7 mt-30 -55.65 -47.65 98.22 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 113.293 0.849 . . . . 71.21 113.293 -176.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.2 Cg_exo -54.99 -36.41 92.41 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.809 1.673 . . . . 72.24 112.008 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 57.5 t -73.78 -37.97 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 63.34 110.361 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 58' ' ' PHE . 95.5 mt -64.55 -46.13 84.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.56 -0.745 . . . . 44.43 111.024 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.85 64.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.203 -0.908 . . . . 55.51 111.043 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.77 -38.07 85.83 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.985 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 95' ' ' ILE . 90.9 mt -67.83 -43.72 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 74.33 110.16 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -67.15 -45.34 77.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 75.22 110.893 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.57 64.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.11 0.481 . . . . 62.45 110.62 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.919 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.7 mt -91.52 -27.3 18.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.526 -0.761 . . . . 74.32 111.823 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.132 -0.485 . . . . 62.22 111.181 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 1.8 p-10 -83.13 96.09 8.29 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.795 -0.817 . . . . 65.41 108.795 171.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.1 mtm -59.21 -30.8 68.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.58 -1.191 . . . . 65.33 112.039 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.42 -12.19 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.404 0.621 . . . . 72.31 109.606 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.567 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 66.3 t30 52.2 71.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.68 -1.146 . . . . 73.22 111.593 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -87.59 -16.33 34.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.269 -0.878 . . . . 54.42 109.453 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.71 34.59 48.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.704 -0.76 . . . . 62.33 112.308 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 82' ' ' ARG . 22.8 mtt180 -140.13 -21.99 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.851 0.315 . . . . 65.42 111.851 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 ptp 45.79 -164.74 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.102 0.876 . . . . 74.32 111.593 -168.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 16.9 t70 -176.76 179.78 1.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.675 -1.232 . . . . 60.11 107.675 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -72.28 -24.57 61.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.773 -0.454 . . . . 61.32 109.773 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.35 -52.92 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 63.42 109.891 175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 90' ' ' ILE . 16.3 mp0 -68.01 -34.64 76.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.341 -0.391 . . . . 45.15 111.082 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.44 -28.26 69.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.74 -0.209 . . . . 70.04 111.0 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -62.63 -26.46 68.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 52.3 110.786 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.1 tt -98.03 -24.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 75.15 110.32 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.25 -33.38 56.04 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.935 -0.575 . . . . 44.23 111.556 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.442 ' SD ' ' HG3' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.07 -28.73 69.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.946 0.403 . . . . 73.54 110.937 -178.683 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD3' ' CE ' ' A' ' 112' ' ' MET . 53.2 tttp -71.58 -29.65 64.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.545 . . . . 61.15 109.768 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -26.17 53.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.067 -0.515 . . . . 53.34 111.125 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 71' ' ' ILE . 29.0 mm -61.98 -52.07 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.294 -0.632 . . . . 73.42 109.294 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -64.75 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 74.23 110.976 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.736 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.3 tp -59.92 -47.19 86.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 74.2 111.07 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.623 ' HD2' HD11 ' A' ' 71' ' ' ILE . 53.0 mttm -73.49 -33.53 64.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 71.44 111.407 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' SER . 79.7 mt -67.3 -30.84 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 74.42 110.502 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -74.07 -25.82 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.307 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.69 23.17 2.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.453 -0.88 . . . . 71.13 113.825 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.736 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 73.8 m-85 -102.63 149.53 24.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.691 0.757 . . . . 63.3 111.208 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -140.9 93.77 2.64 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.724 -1.126 . . . . 62.44 110.269 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 148.11 35.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.398 -0.819 . . . . 54.01 109.693 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 74' ' ' LEU . 91.7 Cg_endo -78.44 -162.19 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.52 2.813 . . . . 70.43 112.791 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.528 ' HA ' HD21 ' A' ' 74' ' ' LEU . 32.5 p -71.79 9.56 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 41.25 111.999 -175.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.06 94.97 6.04 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.547 -0.751 . . . . 75.33 111.429 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.919 ' HG ' HD22 ' A' ' 74' ' ' LEU . 13.5 mt -73.0 143.63 84.24 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.8 -0.445 . . . . 64.32 109.8 172.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 11.9 Cg_exo -71.95 152.26 57.3 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.252 1.968 . . . . 73.32 112.081 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_exo -67.76 -22.59 43.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.928 2.419 . . . . 72.31 112.468 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.62 -29.89 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 60.24 111.28 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 93' ' ' LYS . 79.3 mtp -81.68 -41.3 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 73.1 110.89 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.68 -27.11 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.118 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 88.1 mt-30 55.02 -167.53 0.09 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.914 -0.584 . . . . 74.31 109.62 -171.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 114' ' ' GLN . 8.7 pt20 55.15 170.74 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.99 0.916 . . . . 64.53 112.551 176.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.99 -172.83 0.76 Allowed 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 122.628 2.219 . . . . 72.43 112.396 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.58 133.1 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.229 0.538 . . . . 60.15 110.975 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -98.2 -11.84 22.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 60.44 110.035 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.2 mt -123.44 125.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.269 -0.878 . . . . 43.44 109.718 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.3 m -74.35 109.89 8.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.994 0.426 . . . . 75.45 110.533 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.622 -0.704 . . . . 63.34 109.879 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.812 0.339 . . . . 74.1 110.428 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.73 117.88 0.83 Allowed Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.196 -0.761 . . . . 74.21 111.196 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -75.94 -46.5 29.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.428 0.158 . . . . 70.03 111.428 -173.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 57.66 32.73 22.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.584 0.707 . . . . 75.24 109.319 -172.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -113.48 127.82 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.182 -0.917 . . . . 75.04 111.241 -171.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 70.47 97.5 0.07 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.959 0.787 . . . . 73.53 111.626 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -129.29 -175.3 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.854 -0.795 . . . . 62.43 108.854 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -89.17 90.86 8.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.137 0.494 . . . . 71.21 109.764 176.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -70.42 114.56 8.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.422 -0.808 . . . . 64.25 110.939 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -117.27 -47.15 2.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.836 -0.431 . . . . 74.33 109.836 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 90.2 mmm 62.17 13.89 6.2 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.612 -0.722 . . . . 75.32 112.521 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.13 6.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 60.54 110.011 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -140.76 -42.86 0.39 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 75.32 110.291 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 63.66 85.66 0.16 Allowed Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.918 0.761 . . . . 71.53 110.682 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 106.94 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.004 2.469 . . . . 70.33 112.318 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.642 ' HB ' ' HD3' ' A' ' 17' ' ' PRO . 47.3 m -116.59 -50.21 0.04 OUTLIER Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 114.506 -1.224 . . . . 75.15 110.956 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HD3' ' HB ' ' A' ' 16' ' ' THR . 72.4 Cg_exo -50.53 122.24 9.23 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.391 2.061 . . . . 71.51 112.303 174.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -113.61 -177.34 3.11 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.555 -0.748 . . . . 74.55 110.953 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.69 -170.81 12.18 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.579 -0.608 . . . . 73.24 111.579 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.0 179.14 26.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.593 -0.813 . . . . 33.44 112.328 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -121.99 122.74 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.642 0.258 . . . . 63.44 110.414 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.2 tp -123.1 -11.54 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.388 0.613 . . . . 74.14 110.268 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -128.67 125.42 38.01 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.56 -0.746 . . . . 74.1 109.161 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -130.16 -48.16 1.1 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.536 -0.757 . . . . 64.13 110.906 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.401 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 98.4 m95 -78.68 -25.63 44.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.39 . . . . 72.34 111.125 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.33 143.66 52.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 65.21 111.083 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -96.12 95.37 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 71.43 110.051 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -74.43 164.04 27.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.241 -0.89 . . . . 73.33 110.06 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.67 -33.81 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.964 0.411 . . . . 72.12 111.032 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.87 -46.22 91.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 72.44 110.62 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.97 -38.49 91.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.179 0.514 . . . . 74.0 110.07 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 25.1 ttp85 -67.88 -47.91 67.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.751 -0.659 . . . . 63.44 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.13 80.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 72.43 111.003 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' SD ' ' A' ' 92' ' ' MET . 13.3 tttt -62.15 -26.73 68.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 74.24 110.813 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 10.5 m-70 -58.26 -47.33 83.92 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.869 0.366 . . . . 74.11 110.279 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.78 -42.24 88.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 70.51 111.206 -172.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -61.65 -46.91 87.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.153 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.2 mt-30 -75.78 -38.64 58.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.365 . . . . 63.24 110.484 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.502 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 11.8 t80 -61.11 -41.98 97.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 53.02 110.076 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -55.31 -42.43 73.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.774 . . . . 73.33 110.347 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -75.59 -19.0 59.55 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.441 -0.8 . . . . 75.11 111.669 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.564 HD21 ' HD1' ' A' ' 57' ' ' PHE . 85.9 mt -76.19 -12.93 60.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.785 0.291 . . . . 72.42 111.785 -176.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.761 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 66.23 68.24 0.64 Allowed Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.616 0.572 . . . . 75.53 110.448 -174.58 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 43.7 Cg_endo -70.6 158.9 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.361 2.04 . . . . 73.34 112.039 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.9 mp -101.22 106.11 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.688 -0.856 . . . . 72.41 108.688 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t 65.93 -74.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.822 0.702 . . . . 64.14 110.447 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.71 27.66 0.24 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.67 -0.572 . . . . 45.05 111.67 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -146.01 165.99 27.41 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.919 0.39 . . . . 74.04 111.126 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.9 pt -143.7 -176.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.673 -0.694 . . . . 61.3 109.825 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -143.91 -179.36 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.252 -0.647 . . . . 71.12 109.252 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.98 62.04 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.565 -0.35 . . . . 52.22 113.575 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.64 -42.81 97.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 74.3 110.813 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.8 -42.32 41.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.699 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.91 86.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 63.12 111.943 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.754 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 14.6 ptm180 -60.9 -36.72 80.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 73.31 111.282 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.57 -33.05 75.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.53 -0.305 . . . . 75.22 111.002 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.564 ' HD1' HD21 ' A' ' 42' ' ' LEU . 68.7 t80 -60.16 -58.28 9.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 65.44 111.19 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.754 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 11.7 p90 -77.26 -22.5 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.169 -0.612 . . . . 65.22 111.37 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.5 -31.91 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 72.04 110.382 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -67.14 -9.55 41.04 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.742 -0.663 . . . . 61.05 111.964 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB2' HD21 ' A' ' 99' ' ' LEU . 90.0 p -70.35 -40.94 73.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 71.22 110.949 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.42 11.33 29.44 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.673 -0.775 . . . . 71.04 111.709 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.19 157.38 65.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.274 -0.269 . . . . 74.11 110.274 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.6 Cg_exo -67.22 152.76 79.02 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.703 2.269 . . . . 70.14 112.182 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 48.7 mt-30 -54.37 -45.7 99.23 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 112.974 0.731 . . . . 65.12 112.974 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 75.3 Cg_exo -52.62 -41.7 66.97 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.018 1.812 . . . . 73.42 112.47 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.18 -39.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 88.3 mt -58.38 -48.56 80.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.626 -0.715 . . . . 73.45 110.687 176.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.81 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.201 -0.909 . . . . 73.35 110.874 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -70.41 -41.16 73.31 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.302 -0.408 . . . . 61.03 110.871 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -54.74 -46.43 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.956 0.408 . . . . 74.24 110.079 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.825 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.7 t90 -66.14 -43.7 86.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.623 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.83 94.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.121 0.415 . . . . 40.41 112.121 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.848 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.3 mp -77.94 -34.33 51.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 72.42 111.325 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.34 -42.92 43.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 74.31 112.188 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.698 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 26.9 t0 -76.1 76.59 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.075 -0.713 . . . . 70.01 109.075 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.0 mtm -63.57 -30.56 71.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.121 -0.945 . . . . 72.23 111.495 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -84.99 -11.66 54.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.946 0.403 . . . . 75.32 110.01 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 56.97 49.77 13.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.543 -0.753 . . . . 74.13 109.096 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 36.7 t70 -78.09 -34.99 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.458 -0.792 . . . . 74.32 109.943 -176.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.825 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.99 2.57 71.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.611 -0.804 . . . . 61.22 111.709 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 52.1 mtp85 -117.63 -26.18 6.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.227 -0.486 . . . . 64.04 110.838 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.1 ttm 62.51 91.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.205 0.941 . . . . 74.11 110.163 -173.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.93 165.85 24.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.388 -0.597 . . . . 73.32 109.388 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 37.3 mm-40 -52.26 -25.99 10.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.39 0.515 . . . . 71.43 112.39 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.14 -50.45 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 73.51 110.311 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.698 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.3 mp0 -67.18 -36.82 82.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.055 0.455 . . . . 70.44 110.237 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 90.9 t80 -60.8 -33.51 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 64.22 110.391 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 t -59.1 -42.22 89.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.676 -0.693 . . . . 65.44 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 tt -89.36 -28.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.998 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.53 84.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.981 0.42 . . . . 74.2 111.107 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.504 ' SD ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 ttp -64.54 -29.75 70.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 73.12 110.53 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -85.79 -30.51 22.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.495 -0.775 . . . . 54.13 110.609 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.03 -39.71 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.117 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.1 mt -54.94 -43.82 70.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 73.23 111.217 -176.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -56.7 -45.91 81.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 62.22 110.97 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 3.8 mm? -80.25 -33.52 37.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.097 -0.501 . . . . 63.21 111.024 -177.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -63.16 -39.47 94.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.727 -0.215 . . . . 74.55 110.924 178.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 61' ' ' SER . 71.9 mt -65.12 -28.07 69.18 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.474 0.484 . . . . 53.34 110.959 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -79.33 -26.18 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 75.52 110.352 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.66 43.39 2.5 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.42 114.097 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CE1' ' HE2' ' A' ' 98' ' ' LYS . 4.1 p90 -86.3 169.46 12.95 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 117.488 0.644 . . . . 73.21 110.001 173.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -140.64 136.89 33.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.376 -0.829 . . . . 61.04 110.293 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HG ' ' HD2' ' A' ' 105' ' ' PRO . 20.0 tp -165.78 146.93 5.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.695 -0.854 . . . . 74.21 108.695 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HG ' ' A' ' 104' ' ' LEU . 33.5 Cg_exo -59.0 171.6 2.08 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 71.52 112.892 176.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.848 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 16.1 m -67.2 -17.25 64.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.596 -0.729 . . . . 74.51 110.94 -175.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.26 105.16 17.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.02 -0.536 . . . . 70.31 110.425 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.76 157.77 48.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.698 -0.683 . . . . 71.2 110.345 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 34.9 Cg_exo -58.77 152.52 56.25 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.571 2.181 . . . . 73.14 112.667 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.7 Cg_exo -69.73 -11.48 30.98 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.072 2.515 . . . . 73.31 112.654 -177.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.75 -32.99 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.129 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 112' ' ' MET . 71.0 mtp -82.88 -21.65 34.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 74.54 111.531 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -107.22 -24.8 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 73.14 110.699 -176.165 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.554 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 32.4 mm-40 58.08 -163.68 0.2 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.865 -0.607 . . . . 74.14 111.907 176.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -83.12 147.01 52.81 Favored Pre-proline 0 N--CA 1.439 -1.015 0 CA-C-N 116.033 -0.531 . . . . 74.3 109.814 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.16 141.07 97.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.369 2.046 . . . . 73.23 111.41 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.0 t -66.45 139.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 62.33 110.121 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.35 92.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.155 0.91 . . . . 72.21 111.158 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.23 -48.18 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.844 -0.616 . . . . 43.23 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.4 m -88.85 89.85 8.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 74.23 110.334 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.099 -0.953 . . . . 74.43 111.144 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.767 0.318 . . . . 53.01 110.427 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.16 -160.16 21.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.15 -0.548 . . . . 73.11 112.826 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -137.19 -73.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 73.24 110.625 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -138.01 -17.21 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 75.23 110.967 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -80.49 101.96 9.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.831 -0.433 . . . . 52.12 109.831 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -122.21 155.66 35.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 75.23 111.135 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -119.56 -179.31 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 64.41 110.408 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -93.67 155.76 17.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.359 -0.608 . . . . 73.11 109.359 173.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -153.5 116.51 4.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.992 0.425 . . . . 72.35 111.201 -176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -113.18 137.01 52.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.722 -0.672 . . . . 74.41 109.759 173.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.2 mtt -139.04 71.84 1.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.385 0.612 . . . . 74.22 109.999 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.53 71.13 0.76 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.707 -0.678 . . . . 62.42 110.217 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.62 108.93 20.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 75.0 110.522 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -121.25 107.29 37.34 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 52.42 110.315 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.64 93.5 0.96 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.874 2.382 . . . . 65.24 110.624 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 t -96.85 130.98 28.79 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.337 -0.847 . . . . 75.45 110.661 -175.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 16.4 Cg_exo -67.13 169.84 14.36 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.776 2.317 . . . . 54.32 111.784 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 67.63 -160.2 0.22 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 71.01 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.8 43.84 5.93 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 109.923 -1.271 . . . . 74.12 109.923 -172.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.15 147.34 9.56 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.031 -0.828 . . . . 53.41 111.031 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 m -96.43 85.97 4.05 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.666 -0.494 . . . . 75.15 109.666 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 tp -112.48 151.18 30.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.899 -0.592 . . . . 63.34 111.102 -173.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.15 86.43 0.04 OUTLIER 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.976 0.91 . . . . 73.14 112.394 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -115.36 -47.49 2.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.368 -0.833 . . . . 71.04 109.72 177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.563 ' O ' ' HG2' ' A' ' 112' ' ' MET . 92.3 m95 -83.87 -25.66 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.53 109.981 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 147.45 46.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.676 -0.693 . . . . 40.33 111.006 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mt -105.7 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.129 0.49 . . . . 71.11 110.41 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.98 -178.74 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.636 -0.711 . . . . 61.05 109.421 175.453 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 28' ' ' THR . 43.7 t -59.13 -44.01 90.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.327 . . . . 75.2 110.498 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.52 -41.9 98.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.516 . . . . 65.12 110.935 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.83 -32.85 72.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.015 0.436 . . . . 72.1 110.483 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -65.64 -50.36 65.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.205 -0.452 . . . . 65.21 109.928 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -24.36 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.648 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -56.63 -27.08 57.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.612 -0.722 . . . . 75.34 111.646 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -61.23 -34.22 74.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.857 0.36 . . . . 73.13 111.052 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.23 -50.09 75.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.696 -0.684 . . . . 73.44 111.604 -175.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -60.06 -39.24 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.538 . . . . 53.31 111.325 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -76.35 -40.9 50.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.814 0.34 . . . . 72.44 110.651 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' A' ' 49' ' ' ILE . 28.7 t80 -64.81 -38.91 92.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 72.13 110.413 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -59.55 -40.2 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 74.41 110.839 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 m -76.44 -18.15 58.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.551 0.574 . . . . 62.03 112.551 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -73.25 -12.46 60.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.33 110.772 -176.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 62.84 65.98 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.686 -0.688 . . . . 54.53 111.442 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.95 129.57 16.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.135 1.89 . . . . 74.35 111.121 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.3 mp -72.72 -72.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.795 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 14.8 m -102.62 32.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 72.01 110.845 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 7.56 61.95 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.884 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 37.5 p90 -149.46 169.45 20.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.911 -0.403 . . . . 73.03 109.911 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.96 -179.39 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 72.25 110.087 178.213 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -138.82 173.47 11.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.446 -0.343 . . . . 71.13 110.574 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.19 -35.22 64.2 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 123.272 0.358 . . . . 74.04 112.846 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.26 -48.66 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 73.14 110.788 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -38.94 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 73.2 110.509 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.66 37.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.742 -0.663 . . . . 71.42 110.593 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 55' ' ' ARG . 67.6 mtt-85 -58.7 -43.28 90.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 64.35 111.354 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.77 -43.16 94.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.303 -0.408 . . . . 72.43 110.479 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.34 -48.74 66.63 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.946 -0.57 . . . . 73.24 110.173 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 1.017 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.3 m-30 -53.04 -53.69 46.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.963 -0.562 . . . . 74.04 110.96 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -64.12 -39.95 95.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.651 -0.704 . . . . 54.03 111.146 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.98 -20.18 65.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.014 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.82 ' HB3' HD11 ' A' ' 99' ' ' LEU . 49.5 m -76.1 -12.73 60.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 53.01 111.03 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.62 36.14 5.18 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.684 -0.77 . . . . 64.31 112.964 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.5 143.77 47.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.808 -0.441 . . . . 74.05 109.808 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 Cg_exo -77.45 158.09 32.7 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.274 2.65 . . . . 62.2 112.333 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.51 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 53.0 mt-30 -53.26 -47.52 95.71 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 113.807 1.04 . . . . 65.42 113.807 -176.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.14 -19.15 40.09 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.089 1.859 . . . . 64.21 112.481 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.22 -31.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.988 -0.551 . . . . 64.22 109.987 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.017 HD22 ' HB3' ' A' ' 58' ' ' PHE . 44.9 mt -68.61 -49.42 59.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 74.3 110.309 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.74 67.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.163 -0.926 . . . . 73.01 110.602 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -44.15 92.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.469 -0.567 . . . . 73.23 109.469 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.754 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.1 mt -66.04 -48.47 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.504 . . . . 51.42 109.688 175.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.644 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 14.7 t90 -60.4 -45.69 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.923 -1.035 . . . . 62.22 111.73 -174.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.05 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 63.15 110.84 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 104' ' ' LEU . 15.6 mt -81.26 -30.9 33.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 75.32 112.018 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.2 -71.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.793 -170.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 9.0 p-10 -85.15 95.75 9.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.853 0.835 . . . . 72.4 108.774 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.9 mtm -51.62 -32.0 27.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.081 -1.418 . . . . 73.35 112.834 -175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.36 -13.27 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 71.44 110.823 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 52.66 67.98 0.9 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.486 -0.779 . . . . 73.31 109.555 -174.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -101.25 -29.01 12.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.105 -0.952 . . . . 54.04 109.746 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.644 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 84.86 19.87 58.84 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.561 -0.745 . . . . 63.42 112.511 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -122.56 -31.84 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.898 -0.178 . . . . 74.13 110.605 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.5 ptp 44.87 106.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.605 1.191 . . . . 72.43 113.361 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.1 171.6 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.468 -0.787 . . . . 74.13 109.369 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.92 -28.02 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.255 0.222 . . . . 74.1 110.665 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.47 -56.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 54.02 109.83 174.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.648 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 18.6 mp0 -62.65 -37.45 86.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 73.04 111.249 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.15 -28.97 68.56 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.173 -0.329 . . . . 75.44 110.702 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' HE3' ' A' ' 92' ' ' MET . 33.6 t -65.24 -23.11 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 73.52 110.925 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 108' ' ' LEU . 14.0 tt -105.4 -25.8 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.039 0.447 . . . . 54.14 110.562 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -69.2 -36.32 77.16 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.308 0.484 . . . . 53.31 112.308 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE3' ' O ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -66.77 -24.84 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.61 -0.268 . . . . 74.32 111.362 -176.118 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -69.99 -36.63 75.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.659 0.266 . . . . 73.24 110.343 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.1 tp -64.32 -39.42 93.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 72.53 110.527 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.441 HD11 ' HE1' ' A' ' 58' ' ' PHE . 37.9 mt -62.26 -46.61 96.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 64.04 109.741 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -58.27 -46.76 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.991 -1.004 . . . . 72.14 110.379 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.78 -38.51 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.835 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.536 ' HD2' HD11 ' A' ' 71' ' ' ILE . 40.3 mttm -66.85 -41.77 86.8 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.708 0.262 . . . . 74.24 111.708 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 61' ' ' SER . 64.4 mt -70.87 -20.49 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.069 0.461 . . . . 74.01 110.47 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -75.33 -26.75 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 64.12 110.08 172.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.75 19.58 6.86 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.898 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.51 168.57 10.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.459 0.647 . . . . 72.51 111.542 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -147.08 149.02 32.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.175 -0.92 . . . . 74.42 109.791 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 109' ' ' PRO . 19.3 tp -143.01 146.11 35.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.594 -0.891 . . . . 71.15 108.594 -178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.539 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.2 Cg_endo -85.08 -168.05 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.017 1.811 . . . . 74.31 112.248 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 p -73.89 -4.65 36.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.327 0.584 . . . . 61.32 111.076 -177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.66 99.82 12.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.381 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HD2' ' A' ' 109' ' ' PRO . 3.5 tt -71.08 139.16 84.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.862 -1.162 . . . . 64.13 107.862 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.83 ' HD3' HD21 ' A' ' 104' ' ' LEU . 17.2 Cg_exo -69.91 150.22 66.98 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 121.596 1.53 . . . . 65.15 112.443 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.43 -7.14 16.8 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.676 2.251 . . . . 75.45 111.714 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.57 -22.56 8.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 61.43 110.041 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 65.6 mtp -92.56 -46.67 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 64.11 110.468 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -79.16 -18.93 52.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 73.41 110.316 177.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 47.4 mt-30 60.8 -162.91 0.26 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.472 -0.785 . . . . 74.54 112.014 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -85.11 132.61 44.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 71.05 109.536 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.48 119.72 4.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.592 2.195 . . . . 74.24 111.987 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.52 125.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.261 -0.881 . . . . 64.34 111.599 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -157.39 123.23 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.626 -0.715 . . . . 75.12 110.344 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.46 83.99 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.17 -0.678 . . . . 74.05 109.17 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -152.55 156.2 38.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.471 -0.786 . . . . 62.31 110.345 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.728 -0.653 . . . . 63.1 109.327 177.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.467 0.543 . . . . 70.5 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -115.64 22.95 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.364 0.602 . . . . 71.24 112.028 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.83 150.91 50.13 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.42 -0.809 . . . . 61.14 110.494 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.6 ' HB ' ' NE2' ' A' ' 114' ' ' GLN . 73.7 mt -92.55 109.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.329 0.585 . . . . 52.3 110.215 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.01 166.89 22.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.201 -0.909 . . . . 71.44 110.888 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.69 -24.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 72.42 109.748 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.24 -47.43 79.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.467 -0.788 . . . . 61.31 110.356 172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 28' ' ' THR . 6.6 mm-40 -63.34 -36.33 83.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.418 0.628 . . . . 71.41 109.642 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -57.56 -42.31 82.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.192 -0.913 . . . . 75.5 110.209 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.83 57.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.042 -0.527 . . . . 63.12 111.013 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -58.74 -33.72 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.881 0.697 . . . . 71.42 112.881 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -27.45 67.82 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.675 -0.41 . . . . 73.04 111.693 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.06 -42.99 55.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.229 -0.442 . . . . 73.01 110.95 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -66.85 -41.09 87.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 71.24 110.518 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 65.0 mm-40 -69.41 -36.82 77.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.765 -0.457 . . . . 70.32 109.765 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.822 ' HA ' HD12 ' A' ' 42' ' ' LEU . 52.5 t80 -61.76 -37.19 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.793 -0.64 . . . . 73.12 110.113 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.43 -41.98 86.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 74.24 109.927 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 m -76.23 -17.05 59.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.454 -0.794 . . . . 51.04 112.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 49' ' ' ILE . 53.4 mt -69.6 -4.4 19.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.102 0.408 . . . . 51.01 112.102 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 mttt 59.27 61.49 4.4 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.674 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 33.3 Cg_exo -57.54 139.55 90.52 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.192 1.928 . . . . 73.44 111.986 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.6 mp -71.14 -57.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 63.01 110.303 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.46 ' HB2' ' HE1' ' A' ' 48' ' ' PHE . 19.3 m -141.27 51.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.966 -0.561 . . . . 64.02 110.335 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.08 3.8 72.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.872 -0.68 . . . . 64.24 111.726 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 46' ' ' SER . 44.2 p90 -142.76 161.25 38.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.079 -0.341 . . . . 72.04 110.079 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.857 HD13 HD13 ' A' ' 42' ' ' LEU . 25.9 pt -115.55 -164.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.007 -0.542 . . . . 64.51 110.05 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -155.93 167.93 28.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.963 -0.562 . . . . 71.23 109.573 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.48 -23.19 62.33 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.479 -0.391 . . . . 62.23 112.809 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -73.15 -38.25 66.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 64.33 110.233 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.72 -34.04 62.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 65.32 110.113 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.48 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.678 -0.692 . . . . 41.23 110.913 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.663 ' HA ' HD21 ' A' ' 68' ' ' LEU . 14.6 ptt180 -60.48 -35.3 75.57 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.189 -0.46 . . . . 72.0 110.645 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -64.3 -53.43 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.424 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.53 -54.05 51.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.817 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.73 ' HB2' HD23 ' A' ' 68' ' ' LEU . 10.5 m-85 -64.17 -38.55 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 74.22 110.975 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -64.2 -43.47 94.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 72.12 109.711 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -19.68 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.939 -1.028 . . . . 63.41 110.945 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 m -76.13 -5.54 47.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.5 . . . . 43.11 111.208 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.51 32.89 5.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 32.54 112.917 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 34.1 mt -110.52 144.17 29.66 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.528 0.204 . . . . 75.52 110.563 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 28.3 Cg_exo -62.99 153.02 76.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.961 2.44 . . . . 52.35 112.169 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.551 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.5 tt0 -58.46 -47.23 99.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.036 -0.529 . . . . 71.23 112.286 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.3 Cg_endo -54.4 -41.34 77.54 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.026 1.817 . . . . 72.14 112.211 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.09 -45.3 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 44.4 110.358 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 58' ' ' PHE . 2.3 tm? -57.56 -48.6 78.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.313 -0.858 . . . . 60.03 110.732 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.67 79.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.497 . . . . 71.21 111.244 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -42.9 78.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.024 -0.535 . . . . 70.21 110.008 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.62 -42.97 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.488 . . . . 73.44 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -64.56 -40.1 94.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.844 0.354 . . . . 72.31 110.549 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.84 62.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 70.31 111.425 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 94' ' ' LEU . 3.6 mt -94.54 -25.04 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 63.23 111.668 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.85 -71.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.369 0.507 . . . . 61.14 112.369 -173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.643 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 5.0 p-10 -90.74 95.32 10.08 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.237 0.541 . . . . 75.32 109.84 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -49.19 -35.7 17.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.035 -0.984 . . . . 65.42 112.48 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -78.94 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.841 0.353 . . . . 75.41 110.692 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.643 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.4 t-20 50.44 71.67 0.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 73.34 109.811 -170.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.4 -19.03 28.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.971 -1.013 . . . . 61.12 109.743 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.43 -15.3 46.5 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.515 -0.766 . . . . 71.23 112.489 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -97.42 -40.61 8.61 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.66 -0.318 . . . . 71.43 110.828 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.7 ttm 60.73 93.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.259 0.974 . . . . 72.01 109.938 -171.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.4 t0 -74.27 166.57 23.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.489 -0.56 . . . . 74.22 109.489 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.61 -19.5 49.41 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.047 -0.524 . . . . 74.42 111.401 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -56.49 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 63.22 110.202 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.6 mp0 -61.33 -42.62 98.98 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.946 0.403 . . . . 75.51 110.523 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CE1' HD11 ' A' ' 42' ' ' LEU . 70.7 t80 -60.83 -29.2 69.35 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.006 -0.278 . . . . 72.52 111.056 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 t -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 73.42 110.997 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 87' ' ' GLU . 16.2 tt -97.11 -25.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.092 0.473 . . . . 54.1 110.014 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.68 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 51.0 111.969 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 16.7 ptm -61.64 -30.36 70.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 65.11 111.333 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -72.25 -26.14 61.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.346 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -64.62 -44.36 90.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.623 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -58.3 -48.47 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.145 0.498 . . . . 54.22 109.722 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.613 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 87.3 tttt -63.08 -44.81 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.463 -0.789 . . . . 64.31 110.706 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.63 -43.56 89.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.471 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -71.96 -28.63 63.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.823 -0.351 . . . . 71.03 110.742 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.9 -8.33 55.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.338 . . . . 74.15 110.833 174.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 29.4 mm-40 -91.48 -1.4 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 45.22 110.026 173.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.1 61.55 1.08 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.916 -0.659 . . . . 74.51 112.072 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -143.7 171.49 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.381 0.61 . . . . 74.12 111.65 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.95 164.0 38.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.674 -1.148 . . . . 71.45 108.246 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 104' ' ' LEU . 2.0 pt? -159.93 158.91 27.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 121.094 -0.243 . . . . 73.14 111.257 -177.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.455 ' O ' HD21 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -75.41 -171.68 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.371 2.714 . . . . 75.3 112.485 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 p -83.24 5.17 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.351 0.596 . . . . 64.44 111.584 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.09 121.67 36.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.577 -0.738 . . . . 51.45 111.135 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 2.7 mm? -79.4 149.26 71.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.794 -0.447 . . . . 64.53 109.794 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 18.2 Cg_exo -66.63 151.58 82.44 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 121.94 1.76 . . . . 74.3 110.92 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 39.4 Cg_exo -62.71 -23.54 74.58 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.709 2.273 . . . . 63.45 113.02 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -30.33 42.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.304 0.573 . . . . 71.1 109.986 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.436 ' HG2' HG13 ' A' ' 90' ' ' ILE . 16.7 ttt -81.16 -25.55 36.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.339 -0.846 . . . . 75.1 109.504 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 109' ' ' PRO . 5.9 mmmm -76.2 -43.74 41.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.393 -0.821 . . . . 74.03 109.304 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.6 ' NE2' ' HB ' ' A' ' 27' ' ' ILE . 45.5 mt-30 . . . . . 0 CA--C 1.517 -0.317 0 CA-C-N 114.417 -1.265 . . . . 41.24 111.421 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.62 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 14.4 m . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.888 0.375 . . . . 71.22 111.381 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.497 ' HH2' HD11 ' A' ' 104' ' ' LEU . 38.6 m95 -113.82 9.28 17.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.335 0.588 . . . . 73.42 111.292 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 171.84 7.18 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.525 -0.761 . . . . 63.43 110.602 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.417 HD11 HG13 ' A' ' 90' ' ' ILE . 87.6 mt -108.96 129.55 63.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.242 -0.435 . . . . 60.45 109.918 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.94 -178.47 4.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.725 -0.671 . . . . 72.44 110.691 -176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.771 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 48.6 t -68.91 -32.62 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.97 0.414 . . . . 73.21 110.861 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -30.13 67.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.035 0.445 . . . . 61.43 109.86 175.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -78.23 -38.06 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.878 -0.601 . . . . 72.21 109.841 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -64.53 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.268 0.556 . . . . 62.23 110.141 178.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.59 57.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.554 -0.748 . . . . 75.32 111.222 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.2 tmtm? -59.19 -44.66 92.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 31.2 p80 -76.34 -28.98 57.07 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 120.206 -0.598 . . . . 73.24 111.327 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.05 -43.37 73.75 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.407 0.442 . . . . 63.31 111.754 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -60.66 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 61.23 111.422 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.92 -33.58 51.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 72.22 111.151 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 49' ' ' ILE . 2.3 t80 -64.78 -34.23 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 33.01 110.367 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.27 -38.37 71.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 72.14 110.252 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -75.79 -16.18 60.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.45 -0.796 . . . . 63.44 112.28 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.586 HD11 ' HD2' ' A' ' 57' ' ' PHE . 70.4 mt -75.33 -11.34 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.545 0.212 . . . . 73.44 111.215 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.88 65.7 1.94 Allowed Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.57 . . . . 74.45 112.07 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.81 136.48 23.15 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.011 1.807 . . . . 71.42 111.011 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.9 mm -90.82 -77.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.815 -0.354 . . . . 54.52 111.402 -176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -111.57 48.18 0.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.025 0.44 . . . . 75.14 110.845 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 21.01 79.24 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.761 -0.654 . . . . 51.44 112.962 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.562 -0.375 . . . . 72.0 110.286 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.628 HD12 ' HZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -138.74 171.62 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.174 -0.676 . . . . 73.02 109.174 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -131.87 -164.97 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.693 -0.403 . . . . 53.52 110.787 178.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.682 ' H ' HG22 ' A' ' 50' ' ' THR . . . -51.34 -37.13 38.69 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 123.291 0.369 . . . . 74.0 113.699 -175.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.37 -50.29 71.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.205 0.526 . . . . 72.44 111.264 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.483 ' HB3' HD13 ' A' ' 42' ' ' LEU . 3.5 mp0 -66.84 -46.28 75.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 63.25 110.292 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.06 79.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 71.4 111.426 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 79.5 ttt180 -60.04 -47.4 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 62.14 111.184 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 38.3 m-80 -67.56 -31.65 71.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.565 -0.289 . . . . 61.22 111.163 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.586 ' HD2' HD11 ' A' ' 42' ' ' LEU . 50.8 t80 -58.68 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 72.41 111.548 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.734 ' HB2' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -79.33 -24.13 43.0 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.784 -0.766 . . . . 73.54 111.546 -175.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.86 -26.92 63.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.164 0.507 . . . . 75.41 110.003 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -63.69 -40.26 96.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 70.13 109.649 176.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -66.68 -20.05 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.53 . . . . 53.02 111.616 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.4 38.41 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.46 -0.876 . . . . 73.34 113.647 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 68' ' ' LEU . 54.2 mt -101.41 154.46 37.21 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.813 0.307 . . . . 70.15 110.357 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.59 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.4 Cg_exo -58.48 149.41 75.16 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.826 2.351 . . . . 74.01 111.861 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.8 tt0 -59.96 -46.76 98.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.749 0.648 . . . . 73.44 112.749 -174.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 9.8 Cg_endo -54.63 -40.77 82.62 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.916 1.744 . . . . 73.41 111.497 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.851 HG13 ' HE2' ' A' ' 98' ' ' LYS . 50.6 t -62.2 -44.31 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.317 -0.856 . . . . 61.13 110.812 175.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.734 HD22 ' HB2' ' A' ' 58' ' ' PHE . 84.1 mt -63.15 -53.47 52.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.722 -0.672 . . . . 54.11 111.105 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.88 70.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 53.24 110.984 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -69.42 -37.61 77.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.538 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.881 HD13 HG12 ' A' ' 95' ' ' ILE . 26.9 mt -62.84 -38.83 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.9 -0.407 . . . . 64.35 109.9 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.427 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 19.1 t90 -66.66 -45.2 79.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 72.2 110.522 177.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -19.28 65.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.451 0.643 . . . . 71.12 110.46 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.825 HD22 ' HG ' ' A' ' 108' ' ' LEU . 10.8 mt -91.71 -27.2 18.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.229 -0.896 . . . . 74.32 111.771 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.55 -71.53 0.18 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.94 0.4 . . . . 65.35 110.884 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 96.69 6.16 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 107.601 -1.259 . . . . 52.35 107.601 169.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.7 mtm -54.25 -30.12 49.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.238 -1.346 . . . . 42.25 113.046 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -85.3 -1.34 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.038 -0.414 . . . . 73.43 110.195 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.452 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER 55.07 77.42 0.21 Allowed 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.707 -0.849 . . . . 53.52 108.707 -169.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.12 -23.88 24.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.807 -1.088 . . . . 75.25 109.08 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.427 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 75.81 28.8 60.28 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.455 -0.793 . . . . 41.15 112.932 174.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 83' ' ' MET . 34.1 ptt180 -165.45 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 64.53 110.502 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.517 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 7.1 ptp 58.65 177.39 0.07 Allowed 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.43 -1.259 . . . . 73.33 112.531 174.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -134.09 -176.67 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.771 -0.825 . . . . 70.13 108.771 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.558 HE22 HD12 ' A' ' 49' ' ' ILE . 74.0 mm-40 -56.04 -29.96 61.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.02 0.378 . . . . 51.1 112.02 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.56 -44.32 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.981 -0.287 . . . . 71.23 110.979 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 19.4 mp0 -68.6 -37.89 80.19 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.417 0.627 . . . . 71.35 110.345 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.28 -34.71 77.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.691 -0.686 . . . . 74.02 110.611 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -76.12 -17.8 59.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.969 -0.56 . . . . 73.11 111.58 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.417 HG13 HD11 ' A' ' 27' ' ' ILE . 12.0 tt -97.31 -40.46 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.768 -0.373 . . . . 72.42 111.407 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -27.48 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 51.43 111.81 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -28.48 68.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 53.33 111.838 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HE2' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -79.0 -29.37 43.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.924 -0.398 . . . . 61.23 109.924 -177.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 71' ' ' ILE . 21.3 tp -61.46 -45.67 93.3 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.096 -0.705 . . . . 63.34 109.096 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.881 HG12 HD13 ' A' ' 71' ' ' ILE . 47.8 mt -55.13 -45.31 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.994 -1.003 . . . . 74.15 111.057 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.49 -52.41 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.677 -0.692 . . . . 74.35 111.618 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.84 -26.34 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.938 -0.305 . . . . 72.25 110.864 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.851 ' HE2' HG13 ' A' ' 67' ' ' VAL . 67.4 tttt -64.65 -28.76 69.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.452 . . . . 65.31 109.922 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 95' ' ' ILE . 67.3 mt -60.17 -24.41 64.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.442 -0.799 . . . . 71.22 111.46 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -80.34 -9.19 59.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.47 -0.332 . . . . 73.42 111.096 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.6 54.1 0.41 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 74.51 112.514 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -132.96 168.43 18.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.615 -0.513 . . . . 74.41 109.615 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.81 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 90.9 mt-30 -136.4 -51.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.329 -0.148 . . . . 74.44 111.144 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.497 HD11 ' HH2' ' A' ' 25' ' ' TRP . 7.4 mp 65.75 165.37 0.12 Allowed Pre-proline 0 N--CA 1.469 0.505 0 O-C-N 123.568 0.542 . . . . 75.12 111.543 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.5 Cg_endo -98.38 -164.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.3 2.667 . . . . 73.34 112.938 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.6 m -81.79 6.64 14.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 71.55 111.344 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.44 109.56 20.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.771 -0.65 . . . . 73.24 110.922 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.825 ' HG ' HD22 ' A' ' 74' ' ' LEU . 35.5 mt -74.4 146.26 83.74 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.267 -0.424 . . . . 71.34 110.834 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 13.9 Cg_exo -70.22 152.8 67.09 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.332 2.022 . . . . 54.34 111.53 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.24 -4.91 16.17 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.661 2.241 . . . . 73.34 112.451 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.2 t -83.17 -30.73 8.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.984 -0.553 . . . . 73.02 110.911 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 72.2 mtp -76.42 -38.15 55.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.379 . . . . 74.54 110.483 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.48 -20.95 25.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.102 -0.499 . . . . 74.03 110.461 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.233 0.196 0 CA-C-N 115.585 -0.734 . . . . 64.55 110.791 -177.657 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.855 0.836 . . . . 54.04 109.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.636 ' O ' ' HG3' ' A' ' 112' ' ' MET . 86.0 m95 -89.14 24.44 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.761 -1.109 . . . . 74.4 110.832 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.91 154.44 18.36 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.795 -1.093 . . . . 71.1 109.91 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.3 83.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.319 0.58 . . . . 52.21 109.577 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.548 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.66 -177.16 3.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.092 -0.958 . . . . 54.34 110.886 -177.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.548 ' H ' HG22 ' A' ' 28' ' ' THR . 7.2 p -54.71 -47.32 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.53 0.567 . . . . 53.32 112.53 -176.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -48.55 76.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.787 0.327 . . . . 62.33 110.164 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -50.77 70.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.59 -0.732 . . . . 61.0 109.643 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.72 -41.62 95.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.879 . . . . 61.52 111.156 -175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.01 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.463 0.173 . . . . 72.23 111.318 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -57.56 -25.91 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 63.54 112.023 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -56.32 -35.77 67.94 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 120.773 0.321 . . . . 64.23 110.309 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.95 -50.09 63.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.803 -0.635 . . . . 73.14 110.909 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -62.66 -49.12 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 74.11 110.824 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.24 -34.76 76.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 73.03 111.349 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' HE1' HD12 ' A' ' 49' ' ' ILE . 56.5 t80 -64.18 -40.44 96.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 73.05 110.651 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.85 -38.5 86.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.081 0.467 . . . . 73.03 110.054 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -76.51 -18.08 58.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 63.41 111.474 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -65.12 -17.86 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 72.03 110.771 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? 65.64 72.51 0.45 Allowed Pre-proline 0 C--O 1.234 0.275 0 N-CA-C 108.653 -0.869 . . . . 60.43 108.653 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.71 138.7 87.37 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.594 2.196 . . . . 71.13 112.441 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.75 91.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.365 -0.834 . . . . 74.42 109.155 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 61.21 24.29 14.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.983 -0.553 . . . . 62.03 111.775 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.32 11.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.344 -0.931 . . . . 61.32 113.738 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -130.13 169.6 15.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.55 0.675 . . . . 74.14 111.292 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.717 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.63 -177.42 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.58 -0.526 . . . . 63.35 109.58 177.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 t -161.53 177.84 9.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.763 -0.198 . . . . 73.41 110.484 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.64 68.26 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 116.193 -0.458 . . . . 74.45 113.27 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.82 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 73.44 111.289 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 11.0 mm-40 -72.62 -33.51 66.71 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.632 -0.427 . . . . 73.51 110.239 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.73 29.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 73.31 110.737 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -59.3 -40.71 87.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.557 -0.292 . . . . 75.3 111.305 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -66.8 -53.28 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 63.24 111.119 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CG ' HD22 ' A' ' 42' ' ' LEU . 54.5 t80 -65.02 -48.12 75.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.356 -0.384 . . . . 75.24 111.034 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.859 ' HB3' HD22 ' A' ' 68' ' ' LEU . 2.1 m-85 -59.25 -41.91 89.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.37 -0.377 . . . . 64.01 110.528 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.89 -41.2 97.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.193 0.52 . . . . 75.21 110.132 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -74.73 -5.19 41.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.751 -0.659 . . . . 73.3 110.583 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -84.14 -8.04 59.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 75.15 110.666 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.66 5.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.526 -0.845 . . . . 72.11 112.761 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 67' ' ' VAL . 78.0 mt -129.65 143.45 49.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.235 -0.283 . . . . 73.32 110.235 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 66.7 Cg_endo -76.21 163.69 32.29 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.582 2.188 . . . . 75.15 113.014 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -50.91 -52.12 60.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.292 -0.867 . . . . 73.12 112.996 -175.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 53.0 Cg_exo -54.5 -36.3 88.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.104 1.869 . . . . 65.32 112.489 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 63' ' ' LEU . 63.4 t -72.32 -41.82 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.56 178.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.7 mt -61.22 -51.43 69.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 41.23 110.528 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.81 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.213 -0.903 . . . . 62.14 111.219 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.18 -39.96 95.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.39 -0.368 . . . . 63.42 111.005 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD23 ' A' ' 94' ' ' LEU . 97.7 mt -68.59 -44.63 82.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.156 0.503 . . . . 61.35 110.085 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.785 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.5 t90 -63.94 -42.67 97.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.755 . . . . 73.55 111.342 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -12.83 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.845 0.355 . . . . 75.14 111.206 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.894 HD22 ' HG ' ' A' ' 108' ' ' LEU . 22.8 mt -97.34 -38.38 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 63.43 111.993 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -62.98 -69.13 0.28 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.517 -0.311 . . . . 74.44 111.57 -169.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -83.91 95.62 8.56 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 107.645 -1.242 . . . . 74.1 107.645 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.492 ' SD ' ' HE3' ' A' ' 113' ' ' LYS . 48.0 mtm -52.94 -32.55 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.6 -1.182 . . . . 74.33 113.38 -173.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -77.89 -11.87 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.488 0.661 . . . . 74.23 109.704 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 49.17 76.17 0.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.587 -1.188 . . . . 64.23 111.059 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.7 -24.95 16.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.093 -1.412 . . . . 61.13 108.905 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.785 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 92.64 29.93 10.3 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.302 -0.863 . . . . 71.52 112.103 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 82' ' ' ARG . 12.1 ptm85 -125.45 -48.56 1.69 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.854 -0.339 . . . . 71.04 111.799 -175.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.587 ' HA ' ' HB2' ' A' ' 87' ' ' GLU . 12.2 ptp 43.14 74.91 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 65.44 111.455 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.99 -176.73 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.692 -0.855 . . . . 61.35 108.692 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.89 -39.3 53.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.053 0.76 . . . . 74.43 113.053 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.58 -48.6 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 118.023 0.374 . . . . 64.24 110.863 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 83' ' ' MET . 1.8 mp0 -66.12 -30.71 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.229 0.537 . . . . 70.51 110.891 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.99 -28.58 62.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.025 0.44 . . . . 72.42 110.682 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -66.78 -8.0 25.26 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.102 -0.499 . . . . 72.54 112.043 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 87' ' ' GLU . 10.9 tt -110.9 -20.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.086 0.469 . . . . 74.42 110.595 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.2 -36.26 58.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.02 112.278 -173.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -22.23 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.488 -0.324 . . . . 74.45 111.828 -174.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -69.08 -38.9 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 74.13 110.205 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' ILE . 9.0 tp -65.76 -40.86 92.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.088 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.9 mt -57.93 -47.32 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 73.2 109.998 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -55.37 -41.52 72.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.278 -0.874 . . . . 63.11 111.414 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.64 -34.28 19.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 63.42 111.448 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 8.1 mtpm? -71.32 -27.86 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.891 -0.323 . . . . 61.13 111.058 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.94 -12.39 59.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.004 0.43 . . . . 71.41 110.731 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.55 -5.45 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.372 0.606 . . . . 71.22 109.666 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.06 49.52 2.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.894 -0.67 . . . . 33.01 112.085 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.69 161.18 20.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.302 0.572 . . . . 73.12 111.623 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -136.13 150.48 49.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.722 -1.126 . . . . 63.13 109.958 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 22.2 tp -153.59 142.62 14.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 5.1 Cg_exo -81.7 -166.0 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.751 2.3 . . . . 73.42 111.893 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.665 ' HA ' HD21 ' A' ' 74' ' ' LEU . 69.9 m -79.9 14.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.213 0.53 . . . . 73.4 111.458 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.95 90.62 3.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.972 -0.558 . . . . 52.53 110.526 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.894 ' HG ' HD22 ' A' ' 74' ' ' LEU . 26.1 mt -67.65 144.59 97.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.449 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.6 152.31 78.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 121.981 1.787 . . . . 65.22 110.752 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.98 -20.92 72.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.79 2.326 . . . . 65.0 112.782 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.71 -31.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.222 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 25' ' ' TRP . 78.5 mtp -74.42 -44.87 49.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 70.51 110.457 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HE3' ' SD ' ' A' ' 77' ' ' MET . 14.7 ptmt -78.67 -12.78 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.208 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 CA--C 1.531 0.217 0 CA-C-N 115.289 -0.869 . . . . 62.04 112.259 168.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.571 HG22 HD11 ' A' ' 97' ' ' LEU . 21.8 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.872 0.368 . . . . 73.14 110.672 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.706 ' HH2' HD11 ' A' ' 104' ' ' LEU . 94.2 m95 -79.92 -21.62 43.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 74.43 111.028 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 134.33 52.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.817 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -81.03 99.22 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.273 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -71.37 166.8 20.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 63.24 110.387 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -50.84 -42.67 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 122.561 0.344 . . . . 74.44 111.488 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -62.69 -44.54 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 75.52 111.132 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 6.3 mm-40 -66.56 -31.67 72.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.209 0.528 . . . . 70.21 110.318 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.98 -47.82 67.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 74.33 110.287 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 62.45 112.222 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.802 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 17.6 ptmt -57.94 -26.69 62.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.662 0.245 . . . . 71.41 111.662 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.1 p-80 -60.08 -35.57 75.47 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.741 0.305 . . . . 71.34 110.302 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.03 -49.32 65.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.91 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.43 -46.21 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 72.13 110.772 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.678 HE21 ' N ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.52 -41.01 89.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.773 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 12.6 t80 -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.971 -0.559 . . . . 61.53 110.27 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.12 -39.19 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.413 -0.812 . . . . 73.1 110.77 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -75.34 -19.02 59.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 63.42 111.617 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 53' ' ' GLN . 2.8 tt -78.13 -2.75 39.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.907 0.384 . . . . 73.22 111.177 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 65.42 74.43 0.38 Allowed Pre-proline 0 N--CA 1.466 0.375 0 CA-C-N 116.021 -0.536 . . . . 73.44 110.305 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.27 155.41 28.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.518 2.145 . . . . 74.53 112.535 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.04 117.74 55.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.537 -0.542 . . . . 74.3 109.537 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 64.12 27.39 14.08 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.635 0.584 . . . . 71.2 110.528 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.19 36.2 89.65 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.869 -0.681 . . . . 70.11 111.894 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -150.38 145.55 26.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.866 0.365 . . . . 72.03 110.411 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.6 pp -114.74 -172.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.976 -0.556 . . . . 75.4 109.837 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -151.81 179.41 8.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.901 -0.407 . . . . 63.22 109.901 177.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' THR . . . -57.94 -46.2 92.77 Favored Glycine 0 C--N 1.333 0.383 0 O-C-N 123.296 0.373 . . . . 72.43 113.868 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -60.44 -43.25 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.013 0.406 . . . . 65.02 110.689 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.612 ' HB3' HD21 ' A' ' 42' ' ' LEU . 14.2 mm100 -64.97 -37.86 89.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 61.45 111.168 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.29 70.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 71.32 110.712 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 48.0 mtp85 -59.71 -49.82 76.25 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.789 -0.641 . . . . 74.53 110.561 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -52.16 -45.96 65.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.791 -1.095 . . . . 71.31 111.52 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -61.91 -48.01 82.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 65.01 110.557 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CB ' HD22 ' A' ' 68' ' ' LEU . 12.3 m-30 -61.25 -34.6 75.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.467 . . . . 74.22 110.407 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.78 -36.54 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 64.21 110.31 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.48 -5.02 40.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.201 -0.454 . . . . 65.25 111.42 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m -90.23 -5.4 56.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.067 0.46 . . . . 54.51 110.935 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.05 18.26 44.03 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.913 -0.66 . . . . 73.41 112.752 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.733 HD22 HG11 ' A' ' 67' ' ' VAL . 85.4 mt -107.73 144.9 30.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 122.874 -0.192 . . . . 71.42 110.725 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 72.4 Cg_endo -77.3 163.94 29.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.963 2.442 . . . . 63.53 113.227 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 83.6 mm-40 -48.41 -52.81 40.24 Favored Pre-proline 0 N--CA 1.472 0.666 0 N-CA-C 113.353 0.871 . . . . 75.23 113.353 -175.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.9 Cg_exo -54.47 -36.67 88.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.182 1.921 . . . . 42.34 112.255 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 63' ' ' LEU . 54.1 t -72.71 -39.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.69 . . . . 73.23 110.472 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 24.1 mt -62.04 -54.6 39.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.932 -0.576 . . . . 73.31 110.347 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.31 75.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.128 -0.942 . . . . 61.24 110.928 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -68.11 -31.31 70.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.429 -0.35 . . . . 73.33 111.458 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.33 -47.29 60.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.874 -0.417 . . . . 71.21 109.874 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.456 ' HD1' ' HE3' ' A' ' 83' ' ' MET . 19.3 t90 -58.66 -57.08 14.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.61 -0.723 . . . . 71.42 110.658 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.85 57.75 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.563 0.539 . . . . 73.13 112.037 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.51 HD13 HD21 ' A' ' 94' ' ' LEU . 3.9 mt -86.76 -39.31 16.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.637 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -64.6 -52.88 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.895 -0.593 . . . . 60.35 111.487 -173.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -85.68 93.71 8.91 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.895 0.855 . . . . 51.24 108.703 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 ptp -59.49 -30.82 68.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.817 -1.083 . . . . 74.41 112.052 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -82.49 -7.63 59.63 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.723 -0.671 . . . . 63.21 110.492 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.413 HD22 ' HA ' ' A' ' 79' ' ' ASN . 3.2 t-20 49.47 75.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.22 -0.9 . . . . 63.42 110.175 -172.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.501 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 34.1 t70 -77.39 -32.61 54.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.917 -1.038 . . . . 70.42 109.835 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.09 -5.24 85.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.807 -0.711 . . . . 74.43 112.196 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 43.9 mtm180 -119.7 -46.5 2.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.239 -0.282 . . . . 74.44 110.239 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.75 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 44.6 ttm 70.43 115.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.371 1.044 . . . . 75.54 112.144 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.8 -174.69 3.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.484 -0.78 . . . . 65.31 109.084 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.36 -25.38 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.634 0.235 . . . . 73.42 111.634 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.433 ' HB ' ' OE1' ' A' ' 87' ' ' GLU . 58.7 t -67.91 -57.04 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.727 0.299 . . . . 61.15 110.323 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.75 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 1.6 mp0 -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 63.55 110.227 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HZ ' HD13 ' A' ' 42' ' ' LEU . 23.5 t80 -68.86 -28.9 67.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.905 -0.589 . . . . 62.23 110.466 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.1 m -68.99 -46.8 67.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.82 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.57 -29.71 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 72.13 110.633 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -65.46 -35.1 79.9 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.163 -0.472 . . . . 72.21 111.108 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.11 -15.05 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.965 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HG3' ' OE2' ' A' ' 31' ' ' GLU . 64.6 tttp -91.03 -34.12 15.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.454 -0.498 . . . . 73.5 110.162 176.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.51 HD21 HD13 ' A' ' 74' ' ' LEU . 1.1 mp -57.35 -35.79 70.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.357 -0.383 . . . . 63.24 111.645 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 58' ' ' PHE . 37.8 mt -57.42 -39.81 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 32.44 110.88 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 96' ' ' LYS . 49.7 mmtt -67.12 -43.69 81.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.274 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.571 HD11 HG22 ' A' ' 24' ' ' THR . 3.6 mm? -69.02 -37.2 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 54.53 110.129 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.567 ' HE2' HG13 ' A' ' 67' ' ' VAL . 16.8 tptt -61.96 -49.28 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.592 -0.731 . . . . 55.33 110.715 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.3 mt -67.64 -25.69 65.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.419 -0.81 . . . . 74.01 112.341 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.94 0.28 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.562 0.578 . . . . 74.31 112.562 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 135.98 -14.87 4.06 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 119.326 -1.416 . . . . 75.35 114.396 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 94.4 m-85 -87.91 159.54 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.485 0.642 . . . . 74.11 110.493 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -137.63 -34.15 0.7 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.013 -0.54 . . . . 64.34 110.809 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.706 HD11 ' HH2' ' A' ' 25' ' ' TRP . 6.5 mp 66.34 156.08 0.13 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-O 121.443 0.639 . . . . 71.21 112.584 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 8.4 Cg_endo -88.42 -163.23 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.478 2.785 . . . . 74.25 110.915 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -77.53 -0.75 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.219 0.533 . . . . 73.02 110.737 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.65 117.37 26.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.813 -0.63 . . . . 74.05 110.803 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HB3' HD22 ' A' ' 74' ' ' LEU . 2.9 pp -91.4 160.96 35.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 70.31 111.085 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 32.1 Cg_exo -59.93 152.41 64.6 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.709 2.273 . . . . 61.43 113.017 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 17.2 Cg_exo -68.47 -15.26 41.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.977 2.452 . . . . 71.53 112.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.52 -19.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 43.22 110.734 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.3 mtt -93.96 -47.58 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 72.35 111.361 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 12.2 ptmt -67.27 -38.94 85.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 73.3 110.554 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 113.715 1.006 . . . . 63.22 113.715 170.353 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.456 -0.146 0 N-CA-C 111.791 0.293 . . . . 75.01 111.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -92.59 10.54 29.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.506 0.67 . . . . 73.52 111.288 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.56 174.56 6.32 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.861 -1.063 . . . . 75.31 109.313 171.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 mm -103.96 102.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.516 0.674 . . . . 72.43 110.921 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -81.52 159.28 24.2 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.901 -1.045 . . . . 71.23 109.733 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 26.3 t -58.4 -22.97 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 43.01 110.228 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 44.5 tt0 -75.26 -43.86 49.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 74.43 109.677 172.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.89 -41.07 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.513 -0.312 . . . . 74.4 111.545 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 11.7 ptm180 -61.37 -37.51 83.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 72.03 110.237 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.12 -38.67 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.607 -0.724 . . . . 71.15 111.17 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 1.1 tmtm? -56.31 -41.7 76.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 54.31 110.886 -177.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 93' ' ' LYS . 46.8 m170 -64.1 -34.0 77.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 53.21 111.966 -174.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.5 -42.11 79.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.621 0.248 . . . . 64.32 110.743 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.46 -35.84 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 60.21 110.492 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -73.36 -50.94 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 72.23 110.004 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' HA ' HD23 ' A' ' 42' ' ' LEU . 24.8 t80 -60.09 -33.14 71.68 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.713 -0.676 . . . . 63.35 111.51 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -35.98 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.916 -0.584 . . . . 75.5 110.913 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -76.63 -17.23 59.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 34.35 112.306 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 39' ' ' PHE . 4.4 mm? -68.5 -7.53 33.06 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 64.33 112.208 -176.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mttt 64.04 62.4 1.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.434 -0.803 . . . . 73.03 110.86 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 15.7 Cg_exo -64.16 131.8 31.75 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.881 1.721 . . . . 73.3 111.464 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 tt -68.27 -36.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 64.3 110.792 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -152.77 -60.33 0.15 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.888 -0.782 . . . . 62.45 108.888 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 19.68 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.432 -0.804 . . . . 74.25 111.43 174.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 35.5 p90 -153.76 167.62 29.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.716 0.293 . . . . 64.21 111.036 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.12 -164.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.445 -0.798 . . . . 64.51 109.268 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 51' ' ' GLY . 2.2 m -140.6 171.09 14.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.056 -0.349 . . . . 74.32 110.056 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.583 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -52.66 -41.78 57.63 Favored Glycine 0 C--N 1.337 0.584 0 O-C-N 123.254 0.346 . . . . 51.0 112.696 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.67 -46.65 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 71.02 110.797 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.62 -40.01 86.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.865 -0.607 . . . . 70.04 110.614 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.45 46.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 35.1 110.959 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 23.6 mtt180 -59.76 -41.77 91.77 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.275 -0.421 . . . . 73.33 110.48 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -54.86 -46.93 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.545 -0.752 . . . . 63.51 110.967 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.94 -44.68 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 73.14 110.969 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 68' ' ' LEU . 9.8 m-30 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.012 0.434 . . . . 71.53 110.226 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -65.25 -40.94 94.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 73.42 110.501 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.86 -23.6 67.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.75 -0.659 . . . . 72.43 110.841 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.59 ' HB3' HD11 ' A' ' 99' ' ' LEU . 50.4 m -80.5 -7.69 59.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 45.43 111.199 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.36 4.32 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.658 -0.782 . . . . 54.11 112.787 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.667 HD22 HG11 ' A' ' 67' ' ' VAL . 87.2 mt -123.53 143.82 42.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.629 0.252 . . . . 64.43 110.397 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.4 Cg_exo -72.05 160.11 48.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.39 2.727 . . . . 75.11 112.327 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.621 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mp0 -56.22 -46.7 99.76 Favored Pre-proline 0 N--CA 1.469 0.501 0 N-CA-C 113.41 0.893 . . . . 73.45 113.41 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 50.8 Cg_exo -55.61 -30.04 73.04 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.928 1.752 . . . . 74.24 112.046 175.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG11 HD22 ' A' ' 63' ' ' LEU . 93.9 t -80.19 -33.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.796 -0.638 . . . . 73.42 110.23 178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 58' ' ' PHE . 15.6 mt -63.29 -52.59 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.504 0.669 . . . . 71.35 109.669 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.03 69.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.004 -0.998 . . . . 72.52 110.895 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -62.21 -40.03 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.145 0.498 . . . . 64.45 109.871 177.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.565 ' HA ' HD23 ' A' ' 94' ' ' LEU . 33.6 mt -70.2 -46.67 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.606 . . . . 64.51 110.305 176.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -66.33 -38.03 86.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 73.21 111.534 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -29.2 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.261 0.553 . . . . 71.54 110.443 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 105' ' ' PRO . 27.2 mt -82.77 -41.81 18.73 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.443 -0.798 . . . . 74.13 110.868 176.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -65.46 -48.31 73.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.591 -0.731 . . . . 62.41 112.289 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 35.6 t0 -75.7 73.79 2.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.54 0.686 . . . . 63.11 109.827 -176.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -67.68 -41.09 84.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 114.955 -1.02 . . . . 65.33 111.9 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -83.99 -10.08 58.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.451 -0.574 . . . . 71.21 109.451 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.621 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.1 t-20 52.7 70.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.628 -1.169 . . . . 70.34 110.715 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 8.6 t70 -96.15 -25.09 15.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.081 -0.963 . . . . 73.32 109.585 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.15 -23.63 23.11 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.896 -0.669 . . . . 64.03 112.039 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -115.17 -39.45 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.523 -0.547 . . . . 72.25 109.523 175.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 82' ' ' ARG . 3.7 ptp 64.09 173.01 0.18 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.748 1.28 . . . . 73.3 111.073 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -134.17 -175.68 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.39 -0.596 . . . . 72.21 109.39 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 27.6 mm-40 -59.39 -19.88 50.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.78 1.03 . . . . 64.03 113.78 -171.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.48 -56.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.773 -0.454 . . . . 74.12 109.773 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.601 ' O ' HG22 ' A' ' 90' ' ' ILE . 7.1 mp0 -65.17 -36.17 83.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.671 -0.695 . . . . 62.21 111.094 176.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CZ ' ' HG ' ' A' ' 42' ' ' LEU . 37.4 t80 -72.75 -28.07 62.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.425 -0.352 . . . . 74.24 111.551 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -55.6 -38.52 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 74.51 111.067 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 87' ' ' GLU . 18.4 tt -74.6 -22.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.011 0.434 . . . . 74.43 111.064 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -75.9 -32.48 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 71.02 111.471 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.563 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 10.6 mmt -69.9 -8.66 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.513 0.56 . . . . 72.44 112.513 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HE2' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -105.15 -15.11 15.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 70.02 110.628 178.287 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 71' ' ' ILE . 11.9 tp -77.43 -31.52 54.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.139 0.495 . . . . 43.01 109.775 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 71' ' ' ILE . 17.1 mm -54.15 -49.21 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.042 -0.981 . . . . 72.15 109.956 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -55.23 -50.96 68.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.347 -0.842 . . . . 75.33 111.016 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.501 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 32.4 tp -68.63 -44.51 74.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 72.4 111.404 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.64 ' HE3' HG13 ' A' ' 67' ' ' VAL . 28.3 mtpp -71.97 -28.67 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.922 -0.311 . . . . 72.41 111.447 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 61' ' ' SER . 25.6 mt -68.94 -16.16 63.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.598 0.237 . . . . 75.14 110.941 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -91.57 -4.74 55.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 73.13 110.394 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.62 53.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.972 -0.633 . . . . 72.51 113.016 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.501 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 96.5 m-85 -133.76 160.51 37.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.102 0.477 . . . . 70.12 111.025 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -154.39 151.62 29.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.783 -0.644 . . . . 61.34 110.342 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.4 tp -150.09 144.89 18.03 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.422 -0.584 . . . . 74.54 109.422 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.608 ' O ' HD21 ' A' ' 74' ' ' LEU . 52.0 Cg_exo -55.08 166.39 2.24 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.602 2.201 . . . . 60.41 112.507 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 p -73.71 0.68 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.083 0.468 . . . . 63.42 112.042 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.58 21.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.64 -0.709 . . . . 65.33 110.683 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 108' ' ' LEU . 3.4 mm? -75.25 144.14 77.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.651 0.262 . . . . 73.13 110.769 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' A' ' 112' ' ' MET . 35.5 Cg_endo -67.12 153.43 77.62 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.18 1.92 . . . . 71.23 111.316 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.37 -15.63 46.03 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.494 2.129 . . . . 70.03 112.419 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.37 -37.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 63.04 111.007 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.59 ' HE2' HG13 ' A' ' 90' ' ' ILE . 57.5 mmm -60.61 -44.24 96.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.354 0.597 . . . . 53.4 111.29 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -90.16 -17.29 27.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.555 -0.748 . . . . 72.33 110.125 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 . . . . . 0 C--O 1.238 0.489 0 CA-C-N 115.162 -0.927 . . . . 75.44 110.906 -173.723 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 112.206 0.447 . . . . 71.5 112.206 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.448 ' HB3' ' CG ' ' A' ' 112' ' ' MET . 37.7 m95 -89.06 -17.11 29.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.369 -0.378 . . . . 70.01 111.618 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.52 125.79 24.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.655 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 90' ' ' ILE . 79.1 mt -93.49 108.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.155 0.502 . . . . 73.35 110.821 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 31' ' ' GLU . 2.8 m -77.35 168.32 20.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.532 -0.758 . . . . 71.4 110.069 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.16 -27.85 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 72.31 110.355 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.61 -53.4 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.571 . . . . 74.23 110.397 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HG2' ' HE3' ' A' ' 93' ' ' LYS . 2.0 mp0 -59.3 -35.73 74.31 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.733 0.301 . . . . 72.23 110.652 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.544 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 51.7 ttp180 -62.54 -44.07 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.306 -0.406 . . . . 75.12 110.367 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.6 66.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.113 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 21.0 mmtp -61.1 -25.87 67.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.054 0.761 . . . . 75.2 113.054 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 2.5 p80 -55.8 -36.06 67.01 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.933 -0.395 . . . . 75.4 109.933 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.84 -48.55 76.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.723 -0.671 . . . . 74.11 111.487 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.52 -50.31 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 75.4 110.537 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.1 -32.76 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 64.34 111.086 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 10.5 t80 -70.91 -36.84 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.29 0.567 . . . . 73.21 109.936 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.506 -0.77 . . . . 63.24 110.386 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -72.01 -21.34 61.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.392 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -72.86 -15.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.41 109.916 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 63.18 71.66 0.63 Allowed Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.41 -0.814 . . . . 53.02 110.849 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.17 156.96 63.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.832 2.354 . . . . 75.22 111.875 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.3 mp -75.69 -63.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.022 0.439 . . . . 71.42 110.117 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -120.72 27.33 8.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.482 0.658 . . . . 62.12 110.444 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 2.16 64.29 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.767 -0.73 . . . . 54.44 111.305 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.77 163.25 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.941 0.4 . . . . 54.41 110.131 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.507 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 45.1 pt -135.95 -166.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 74.2 109.316 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -148.8 175.52 11.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.851 -0.426 . . . . 73.05 109.851 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.22 95.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.506 -0.378 . . . . 61.0 113.707 -172.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 37.1 t70 -62.98 -35.17 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.41 . . . . 72.11 111.271 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.4 -34.0 58.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.968 0.413 . . . . 72.24 110.515 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.83 77.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 62.31 111.722 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 17.0 ptt180 -60.73 -33.17 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.736 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.6 -40.79 93.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.882 0.372 . . . . 75.33 110.999 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.527 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . 61.8 t80 -64.41 -49.26 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.931 0.396 . . . . 72.41 110.845 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HB2' HD22 ' A' ' 68' ' ' LEU . 13.5 m-85 -66.24 -33.86 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 74.45 110.672 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 68' ' ' LEU . 57.3 t80 -65.6 -31.3 72.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.587 . . . . 74.12 109.8 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -11.93 60.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.584 -0.734 . . . . 55.2 110.193 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 m -84.75 -7.18 59.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 63.44 110.9 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.49 7.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 54.02 112.516 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 60.7 mt -117.25 144.52 34.0 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.599 0.238 . . . . 74.2 110.548 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 15.9 Cg_exo -68.27 152.67 75.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.017 2.478 . . . . 75.04 112.38 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.545 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.9 mp0 -54.44 -48.8 93.82 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.879 0.696 . . . . 65.35 112.879 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.1 Cg_exo -56.28 -30.19 79.47 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.86 1.706 . . . . 72.32 112.378 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 71' ' ' ILE . 57.7 t -81.05 -39.25 17.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 75.14 110.279 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 80.8 mt -55.25 -49.37 72.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 75.44 110.562 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.78 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.045 -0.98 . . . . 44.42 111.118 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -73.24 -41.0 64.21 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.419 -0.355 . . . . 75.34 110.738 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.719 HG21 HD11 ' A' ' 95' ' ' ILE . 2.3 mt -65.66 -46.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 64.4 110.718 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.657 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 23.4 t90 -62.8 -43.97 97.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.058 -0.519 . . . . 61.01 110.731 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.8 -12.55 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.435 . . . . 70.21 111.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.014 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.8 mt -95.55 -33.73 12.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.904 -0.589 . . . . 33.45 111.723 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.73 -70.65 0.22 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.381 -0.372 . . . . 71.44 110.663 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.773 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 9.5 p-10 -84.94 91.08 7.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.797 0.808 . . . . 75.23 109.153 174.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.7 mtm -55.06 -28.7 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.46 -1.245 . . . . 73.54 111.918 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.11 -12.5 61.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 75.12 110.625 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.425 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER 52.62 66.25 1.28 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.764 -0.653 . . . . 73.13 109.417 -174.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.57 -25.35 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.508 -0.769 . . . . 74.21 109.232 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.657 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 87.29 29.05 23.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.308 -0.86 . . . . 64.53 112.252 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -135.3 -40.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.536 0.198 . . . . 65.31 111.536 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 ttm 58.57 91.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.935 0.772 . . . . 72.1 110.811 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' H ' ' A' ' 85' ' ' GLN . 2.3 m-20 -82.64 -166.25 1.25 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.421 0.629 . . . . 60.2 110.987 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 49.3 mm-40 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.407 -0.815 . . . . 64.11 112.645 -169.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.49 -36.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.097 -0.641 . . . . 73.31 110.441 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.773 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 3.3 mp0 -68.05 -41.53 81.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.439 . . . . 64.52 110.507 176.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD2' ' HD2' ' A' ' 39' ' ' PHE . 54.0 t80 -65.35 -30.45 71.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.757 0.313 . . . . 62.55 110.526 175.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.6 m -64.48 -43.65 93.48 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.046 0.45 . . . . 72.51 110.868 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 27' ' ' ILE . 16.8 tt -71.43 -19.58 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.046 -0.525 . . . . 75.43 110.957 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.47 -14.73 60.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 64.41 111.679 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.4 tpt -57.78 -41.5 82.16 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.014 0.435 . . . . 72.34 110.994 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 31' ' ' GLU . 28.3 mmtp -80.18 -26.05 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 74.44 111.225 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 71' ' ' ILE . 31.9 tp -73.47 -52.47 13.55 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.442 -0.345 . . . . 74.22 111.435 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.719 HD11 HG21 ' A' ' 71' ' ' ILE . 50.4 mm -56.94 -41.43 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.115 -0.493 . . . . 75.54 111.035 -177.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 52.3 tttp -62.12 -47.67 83.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 74.33 110.549 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 97' ' ' LEU . 4.4 mm? -71.45 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 73.52 111.64 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' HD11 ' A' ' 71' ' ' ILE . 18.5 mmtm -71.63 -36.34 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.395 . . . . 61.43 110.434 175.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.29 -11.46 59.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 71.51 110.682 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 16.0 mm100 -85.67 -11.64 53.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 70.4 111.022 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.71 -8.06 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.652 -0.785 . . . . 54.21 113.386 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -82.8 150.23 26.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.764 0.792 . . . . 75.44 111.173 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.59 167.18 14.27 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.883 -1.053 . . . . 75.2 110.235 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.8 mt -151.97 154.22 32.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.265 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.483 ' O ' HD21 ' A' ' 74' ' ' LEU . 2.8 Cg_exo -76.72 -163.61 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.43 2.753 . . . . 63.43 111.732 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.2 m -83.43 9.59 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 64.23 111.375 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.06 116.64 23.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.956 -0.565 . . . . 74.15 111.047 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 1.014 ' HG ' HD22 ' A' ' 74' ' ' LEU . 64.5 mt -83.65 146.21 49.34 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.243 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 18.9 Cg_endo -60.67 153.59 60.86 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.613 2.209 . . . . 71.33 112.086 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.709 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 25.8 Cg_exo -64.42 -9.23 19.42 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.168 2.578 . . . . 33.21 112.917 -178.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.9 t -80.02 -36.43 16.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 62.02 111.054 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.451 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 80.6 mtp -74.71 -51.41 14.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.202 0.525 . . . . 65.12 110.469 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.709 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -76.7 -14.91 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 72.12 111.079 -177.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 C--O 1.236 0.35 0 CA-C-N 115.339 -0.846 . . . . 74.45 112.834 173.452 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 120.958 0.409 . . . . 63.4 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -94.35 1.33 55.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 74.33 111.567 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.02 175.3 6.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.102 -0.499 . . . . 73.52 111.084 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -95.23 118.3 41.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 75.22 109.758 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -109.14 179.27 4.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 54.13 110.459 -177.119 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.502 ' H ' HG22 ' A' ' 28' ' ' THR . 45.1 t -61.15 -29.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.25 -0.648 . . . . 73.2 109.25 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.85 -59.18 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 72.45 110.506 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 93' ' ' LYS . 19.5 mp0 -54.17 -46.16 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.542 . . . . 70.12 110.473 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.35 -38.07 89.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.346 -0.843 . . . . 71.43 111.05 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -43.1 60.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 43.12 111.046 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 46.1 mmtm -67.26 -32.19 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.439 . . . . 73.13 110.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 34.8 t-80 -57.99 -55.35 36.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.092 -0.958 . . . . 74.22 110.758 173.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -55.33 6.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.443 -0.799 . . . . 63.4 112.901 -170.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -63.89 -42.81 97.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.482 0.549 . . . . 75.03 112.482 -172.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.0 mt-30 -73.95 -38.64 64.18 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.708 -0.397 . . . . 73.1 110.983 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 6.0 t80 -63.17 -41.77 99.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.72 -0.474 . . . . 72.33 109.72 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -60.79 -32.05 71.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.524 -0.762 . . . . 64.21 110.487 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -76.31 -22.32 55.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.634 . . . . 44.44 111.644 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HD1' ' A' ' 57' ' ' PHE . 97.8 mt -79.37 -10.43 59.81 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.7 0.286 . . . . 64.53 110.754 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 8.5 mtmp? 66.33 74.13 0.37 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.562 -0.744 . . . . 75.44 110.379 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 18.6 Cg_endo -60.43 139.91 88.87 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.719 2.279 . . . . 64.03 111.6 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.39 -75.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.782 0.325 . . . . 74.21 110.368 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -113.93 32.68 5.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.311 0.577 . . . . 54.25 110.744 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.85 -9.14 55.05 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.769 -0.729 . . . . 75.34 111.961 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.1 167.68 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.817 0.341 . . . . 71.44 110.294 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 53' ' ' GLN . 30.1 pt -118.23 -172.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.949 -0.76 . . . . 75.04 108.949 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.2 m -131.19 -174.11 3.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.99 -0.374 . . . . 74.05 109.99 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.712 ' H ' HG22 ' A' ' 50' ' ' THR . . . -53.05 -36.05 50.65 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 114.227 0.451 . . . . 64.35 114.227 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.36 -45.31 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.948 0.374 . . . . 74.03 111.013 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.587 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 13.1 mm-40 -74.28 -29.03 61.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.408 -0.36 . . . . 74.15 110.56 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.144 0.497 . . . . 74.0 109.944 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HD2' ' HE1' ' A' ' 58' ' ' PHE . 14.1 tpt180 -56.85 -50.47 72.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.839 . . . . 54.11 110.495 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -59.81 -37.74 80.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.631 -0.713 . . . . 53.15 111.099 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 42' ' ' LEU . 74.7 t80 -55.07 -52.68 62.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 72.55 112.127 -176.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' HE1' ' HD2' ' A' ' 55' ' ' ARG . 2.9 p90 -86.99 -20.71 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.046 -0.662 . . . . 75.51 111.831 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -66.61 -37.63 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 74.2 110.908 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 57' ' ' PHE . 29.6 pt20 -69.2 -9.2 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.382 -0.372 . . . . 53.35 111.683 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 t -80.35 -18.48 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 42.5 110.82 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.06 24.15 38.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 71.31 112.958 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG23 ' A' ' 95' ' ' ILE . 23.8 mt -91.96 150.39 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.784 0.292 . . . . 75.42 110.313 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.501 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.7 Cg_exo -57.84 149.52 68.88 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.913 2.409 . . . . 65.44 112.873 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.1 mp0 -53.94 -50.64 82.92 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.392 -0.822 . . . . 72.12 112.591 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 41.5 Cg_exo -57.85 -36.9 98.01 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.927 1.751 . . . . 52.05 112.236 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.702 HG13 ' HD3' ' A' ' 98' ' ' LYS . 95.6 t -66.97 -41.55 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 63.24 110.267 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 79.9 mt -62.67 -47.68 82.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 74.41 110.484 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.12 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.395 -0.82 . . . . 51.32 111.164 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 1.4 mm100 -67.02 -41.21 87.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 55.14 111.233 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 95' ' ' ILE . 52.5 mt -62.05 -44.65 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 62.13 110.813 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.558 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.3 t90 -67.52 -47.62 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 73.21 110.819 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.08 -27.8 69.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.144 0.497 . . . . 73.53 110.966 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -76.69 -32.68 58.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.67 . . . . 64.21 111.111 176.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -62.93 -64.89 0.78 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.021 -0.536 . . . . 61.32 111.958 -172.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 4.7 p30 -85.84 99.85 11.66 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.946 0.879 . . . . 73.15 109.783 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.412 ' HG3' HD12 ' A' ' 108' ' ' LEU . 55.0 mtm -47.56 -30.07 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.305 -1.316 . . . . 71.54 112.805 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -90.19 -10.41 44.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.661 0.267 . . . . 75.24 110.941 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER 58.87 75.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.815 -1.18 . . . . 65.52 107.815 -166.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.595 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 28.4 t70 -84.22 -38.73 20.18 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.922 -1.036 . . . . 72.14 109.349 -174.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.558 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.54 -4.75 82.44 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.603 -0.726 . . . . 64.02 112.607 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -108.12 -42.14 4.73 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.009 -0.277 . . . . 73.24 111.064 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.1 ttm 62.55 94.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.377 -0.828 . . . . 70.4 111.652 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -85.07 177.7 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.744 -0.836 . . . . 73.43 108.744 172.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -50.62 -34.81 27.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.398 0.518 . . . . 74.4 112.398 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.45 -57.09 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.998 -0.281 . . . . 72.13 110.788 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 1.9 mp0 -61.81 -33.31 73.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.275 0.559 . . . . 73.55 110.306 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.56 -46.01 84.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.429 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.0 m -65.42 -26.66 68.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.791 -0.64 . . . . 50.01 111.623 -175.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 108' ' ' LEU . 12.5 tt -92.68 -6.6 10.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 74.31 111.075 -176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -108.56 -28.94 9.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 53.34 111.422 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 35' ' ' HIS . 26.6 ptt? -56.61 -35.87 68.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 65.2 112.68 -173.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HB3' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -97.82 -5.64 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.265 -0.574 . . . . 71.4 111.433 -177.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 71' ' ' ILE . 21.4 tp -64.92 -36.43 84.34 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.848 -0.797 . . . . 74.54 108.848 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 71' ' ' ILE . 36.8 mt -54.52 -42.62 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.149 -1.387 . . . . 74.53 110.65 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.03 -44.15 97.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 75.22 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.56 -26.7 64.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 75.32 111.247 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.702 ' HD3' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -75.37 -34.0 61.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.499 -0.319 . . . . 64.05 110.315 176.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.51 -29.3 66.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.623 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.05 -11.35 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 64.22 111.537 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.09 40.55 16.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.832 -0.699 . . . . 62.4 112.765 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -96.42 178.07 5.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.032 -0.358 . . . . 75.51 110.032 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 26.9 mt-30 -61.67 159.76 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.472 0.653 . . . . 71.33 112.006 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -113.86 86.18 10.69 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 71.43 110.125 175.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 103' ' ' GLN . 4.8 Cg_exo -74.07 177.3 8.38 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.983 2.455 . . . . 50.23 112.936 -174.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 p -122.96 -1.03 8.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.568 0.699 . . . . 71.13 110.493 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -120.98 143.12 49.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.955 -1.02 . . . . 53.45 110.344 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.847 HD13 HD13 ' A' ' 90' ' ' ILE . 87.9 mt -87.16 147.74 43.29 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 63.23 111.006 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 9.3 Cg_exo -72.17 151.99 55.72 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.531 2.154 . . . . 71.22 111.835 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 7.6 Cg_exo -74.34 -11.79 22.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.947 2.431 . . . . 74.21 112.687 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 t -82.91 -31.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.71 -0.677 . . . . 63.33 111.371 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 90' ' ' ILE . 47.9 mtp -75.06 -29.27 60.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.922 0.391 . . . . 64.12 110.986 -177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -82.06 -16.25 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.442 -0.577 . . . . 75.12 109.442 174.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.235 0.34 0 CA-C-N 115.155 -0.93 . . . . 75.32 112.125 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.341 0.591 . . . . 74.32 109.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.46 -16.03 53.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.693 -0.685 . . . . 74.25 110.259 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.23 162.72 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 64.11 110.875 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.5 mt -97.46 83.93 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.397 0.618 . . . . 61.21 110.563 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -67.94 163.85 21.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.49 -0.777 . . . . 72.4 109.193 174.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 13.2 p -55.37 -35.02 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.139 0.495 . . . . 54.43 110.719 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.78 -38.67 89.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.706 -0.679 . . . . 73.41 110.712 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 15.3 mm-40 -73.64 -30.46 62.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 43.23 110.617 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -57.03 -47.79 80.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.349 -0.611 . . . . 74.02 109.349 170.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -16.25 47.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.546 -0.752 . . . . 63.01 112.237 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 30.0 mmtm -60.42 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.734 0.302 . . . . 65.53 110.92 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 12.0 p-80 -76.87 -29.13 55.67 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.68 -0.408 . . . . 71.4 111.654 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.46 -44.46 71.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.75 0.31 . . . . 51.23 110.594 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -77.01 -54.85 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.14 111.86 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.89 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.967 0.358 . . . . 52.13 111.967 -174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' HE1' HG23 ' A' ' 49' ' ' ILE . 17.1 t80 -64.01 -37.91 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.213 0.53 . . . . 64.12 110.268 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.87 -35.11 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.767 -0.651 . . . . 64.32 110.051 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 24.3 t -75.92 -18.85 59.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.998 -0.546 . . . . 75.43 111.35 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -83.0 4.03 27.65 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.682 0.277 . . . . 73.43 111.025 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 41' ' ' SER . 12.0 mptt 57.63 77.65 0.4 Allowed Pre-proline 0 N--CA 1.463 0.214 0 CA-C-N 116.035 -0.53 . . . . 71.53 111.081 -177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 39.5 Cg_endo -71.91 137.67 29.91 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.008 1.805 . . . . 62.34 111.654 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.5 mm -93.79 110.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.025 -0.731 . . . . 54.53 109.025 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 68.65 -74.08 0.08 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.95 0.781 . . . . 72.22 110.609 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.63 31.66 0.17 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.261 -0.736 . . . . 64.1 111.261 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 38.5 p90 -152.58 173.79 14.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.869 0.366 . . . . 63.1 111.042 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 39' ' ' PHE . 22.0 pt -136.59 -169.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 55.5 109.711 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.5 t -147.85 167.88 23.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.998 -0.371 . . . . 73.42 109.998 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.92 -35.6 64.17 Favored Glycine 0 C--N 1.333 0.369 0 O-C-N 123.554 0.534 . . . . 60.3 112.521 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.22 -52.91 63.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.752 0.31 . . . . 65.44 111.293 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 55.21 110.543 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -55.5 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.574 . . . . 72.14 110.777 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -63.91 -33.99 76.94 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.517 -0.31 . . . . 74.34 111.017 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 25.7 t-20 -64.47 -49.56 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 64.22 110.566 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB2' HD21 ' A' ' 42' ' ' LEU . 61.8 t80 -62.55 -48.0 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 72.23 110.91 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.4 m-30 -57.48 -47.52 81.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 62.21 110.654 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -65.08 -32.18 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 61.34 110.996 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -59.9 -27.63 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 71.05 111.662 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.769 ' HB2' HD11 ' A' ' 99' ' ' LEU . 96.5 p -73.35 -24.2 60.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.99 0.424 . . . . 71.44 110.827 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.15 -1.18 20.97 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.942 -0.647 . . . . 74.31 112.416 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 67' ' ' VAL . 95.9 mt -80.78 142.6 52.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.588 0.232 . . . . 75.35 110.392 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 4.4 Cg_exo -83.22 169.59 12.63 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.485 2.79 . . . . 72.41 112.856 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.528 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.2 mp0 -48.86 -50.48 61.27 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 113.343 0.868 . . . . 72.04 113.343 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 52.4 Cg_exo -57.38 -16.99 25.0 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.396 2.064 . . . . 72.13 113.297 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 63' ' ' LEU . 44.5 t -98.3 -35.55 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 72.43 110.473 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 58' ' ' PHE . 27.2 mt -62.16 -56.49 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.647 . . . . 70.43 110.722 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.26 71.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.538 -0.756 . . . . 73.44 110.491 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -66.1 -39.49 90.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.896 -0.593 . . . . 74.35 110.882 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.1 mt -70.01 -44.17 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 62.43 110.154 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.49 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 24.2 t90 -62.37 -49.54 75.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 74.51 111.074 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.03 69.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 64.22 111.193 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -73.85 -47.68 36.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 74.52 111.04 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -82.59 -30.15 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 64.32 112.467 -172.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 79' ' ' ASN . 41.0 t0 -77.31 85.85 3.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.563 -0.532 . . . . 73.43 109.563 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -51.43 -53.16 39.74 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.29 0.848 . . . . 65.34 113.29 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -91.85 -6.76 51.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 75.41 110.575 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.608 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.2 t-20 54.9 71.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 62.43 109.8 -173.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 3.8 t70 -78.38 -26.4 46.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.414 -1.266 . . . . 70.22 110.003 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.49 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 98.72 -23.09 37.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.657 -0.782 . . . . 63.44 111.44 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -111.56 -29.2 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.253 -0.647 . . . . 74.41 109.253 175.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.8 ttp 69.48 107.98 0.06 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.511 1.132 . . . . 74.12 110.671 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.5 t70 -67.37 160.87 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 70.21 110.416 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 18.9 mm-40 -60.1 -28.7 68.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.052 -0.522 . . . . 64.24 112.175 -172.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 89' ' ' SER . 61.8 t -70.24 -48.3 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.343 . . . . 52.21 110.272 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 mp0 -63.04 -41.18 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 73.43 110.33 175.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.83 -28.98 69.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.769 -0.65 . . . . 73.31 111.13 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 60.7 m -62.11 -34.2 75.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.24 112.06 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.941 HD11 ' HB3' ' A' ' 112' ' ' MET . 15.2 tt -81.78 -20.72 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 120.996 0.427 . . . . 74.24 111.03 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -78.88 -16.25 57.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 75.43 111.2 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.57 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.8 mmt -58.93 -42.0 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 51.45 112.033 -175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.454 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -78.47 -31.56 47.96 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.631 -0.428 . . . . 74.34 110.872 -178.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.619 HD21 HD13 ' A' ' 74' ' ' LEU . 2.0 mp -58.84 -44.76 91.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 112.226 0.454 . . . . 71.14 112.226 -173.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 58' ' ' PHE . 45.0 mt -57.92 -53.82 40.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 75.14 110.637 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.0 mmtt -71.04 -28.98 64.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 65.14 111.072 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 14.0 tp -73.67 -36.73 65.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.252 . . . . 71.32 110.442 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 102' ' ' TYR . 8.8 mtpm? -71.68 -33.11 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.869 -0.333 . . . . 73.11 110.363 177.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 61' ' ' SER . 90.1 mt -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 44.14 110.445 175.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 80.4 mt-30 -78.69 -20.19 50.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.893 -0.594 . . . . 71.24 111.185 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.72 -11.73 6.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.234 -0.984 . . . . 75.13 113.445 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.672 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 95.2 m-85 -80.93 156.8 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.138 0.469 . . . . 75.12 110.477 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -173.36 134.52 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.081 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.5 mt -139.56 161.96 53.9 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 61.22 109.873 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.01 -168.41 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.915 2.41 . . . . 71.45 112.278 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.651 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 29.1 m -73.79 -3.24 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 33.34 111.272 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.9 97.8 8.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.11 -0.496 . . . . 61.14 110.46 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 74' ' ' LEU . 1.9 pp -83.4 151.77 63.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 72.11 110.499 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.49 153.76 72.77 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.639 2.226 . . . . 64.02 112.43 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.9 -23.19 76.46 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.539 . . . . 74.21 112.472 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.26 -26.72 36.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.544 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.941 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -71.77 -49.09 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 62.54 111.439 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -21.95 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.755 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.386 -0.825 . . . . 61.54 109.972 -175.437 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.468 . . . . 70.34 111.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.752 ' HH2' HD11 ' A' ' 104' ' ' LEU . 92.2 m95 -73.76 -17.54 61.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 71.13 110.999 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.56 143.69 42.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.768 -0.651 . . . . 74.31 111.04 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.473 HG12 ' HE3' ' A' ' 93' ' ' LYS . 47.3 mt -110.25 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.306 0.574 . . . . 74.03 109.506 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -87.22 176.53 7.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.421 -0.809 . . . . 62.22 110.371 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.942 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 47.4 t -55.29 -37.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 75.41 111.17 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.4 mp0 -61.12 -47.14 87.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.437 -0.208 . . . . 72.14 110.437 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -68.09 -32.89 73.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.436 -0.347 . . . . 40.45 111.154 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.942 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -72.3 -42.65 65.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.635 -0.426 . . . . 72.51 109.853 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 32' ' ' ARG . . . -66.93 -39.3 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.806 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 11.6 tmtt? -57.37 -46.13 83.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 73.05 110.709 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 7.5 p-80 -77.85 -28.35 50.07 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.487 -0.485 . . . . 61.23 110.843 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.05 -45.14 93.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.157 0.503 . . . . 71.04 110.017 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -57.47 -44.4 84.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.531 -0.759 . . . . 61.03 110.521 176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 35' ' ' HIS . 18.5 mt-30 -73.18 -28.07 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.76 . . . . 75.31 111.202 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -34.82 79.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.86 -0.793 . . . . 74.23 108.86 175.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.89 -37.16 86.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 64.14 110.224 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 m -75.19 -16.45 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 74.34 111.89 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.7 tt -69.66 -21.66 63.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.036 -0.727 . . . . 73.45 109.036 174.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mppt? 63.94 75.95 0.36 Allowed Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 115.027 -0.988 . . . . 73.35 110.645 -172.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.33 139.17 53.66 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.477 2.118 . . . . 73.42 111.368 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.57 -54.62 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 62.22 110.605 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -156.16 50.32 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.909 -0.587 . . . . 73.12 109.557 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 6.8 68.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 74.42 112.267 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -143.37 165.65 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.449 . . . . 71.33 109.786 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.31 175.45 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 72.03 109.923 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.645 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 11.5 p -133.35 -177.07 4.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 75.34 110.451 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.16 -37.16 93.5 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.146 -0.55 . . . . 73.41 112.523 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.64 -35.66 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.048 0.452 . . . . 72.54 110.27 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.645 ' HB2' ' H ' ' A' ' 50' ' ' THR . 2.8 mp0 -67.46 -40.16 85.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 73.34 110.43 176.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' O ' ' HD1' ' A' ' 58' ' ' PHE . . . -64.41 -46.29 83.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 71.33 109.765 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.07 -49.82 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 72.41 110.936 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -64.04 -38.53 91.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 72.22 111.108 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.52 -51.46 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.576 -0.283 . . . . 64.4 110.924 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' HD1' ' O ' ' A' ' 54' ' ' ALA . 29.8 m-85 -60.43 -40.29 90.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.359 -0.382 . . . . 72.23 111.308 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -65.79 -31.17 72.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 74.12 110.721 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.18 5.39 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.762 -0.654 . . . . 71.12 111.619 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -85.89 -46.96 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.911 -0.493 . . . . 72.35 111.104 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.76 -3.61 29.02 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.932 -0.651 . . . . 44.25 111.806 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.86 150.27 58.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.432 -0.21 . . . . 64.54 110.432 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 67' ' ' VAL . 24.3 Cg_endo -64.13 153.57 75.55 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.332 2.022 . . . . 71.5 111.873 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -58.62 -45.08 99.68 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.825 0.676 . . . . 73.43 112.825 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 81.3 Cg_exo -51.67 -41.07 63.39 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.848 1.699 . . . . 73.1 112.218 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG13 ' HE2' ' A' ' 98' ' ' LYS . 56.0 t -70.15 -40.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 74.35 110.62 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.21 -45.82 92.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.9 -0.591 . . . . 74.2 110.736 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.24 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 65.43 111.168 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -46.38 85.12 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.3 -0.63 . . . . 64.43 109.3 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 95' ' ' ILE . 96.9 mt -65.67 -42.89 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.764 -0.653 . . . . 75.42 110.67 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -64.64 -43.99 91.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.226 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 -27.84 68.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 75.03 110.636 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' HG ' ' A' ' 108' ' ' LEU . 2.3 mt -76.39 -48.4 19.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.56 -0.746 . . . . 75.02 111.106 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -72.25 -44.25 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 74.12 112.057 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.699 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 19.9 t0 -76.81 77.85 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.485 -0.931 . . . . 74.04 108.485 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -67.86 -45.88 73.33 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.053 -0.976 . . . . 72.1 111.676 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -76.38 -12.57 60.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.607 -0.516 . . . . 62.35 109.607 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.699 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 47.23 71.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.3 -1.318 . . . . 73.13 112.085 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -91.92 -21.9 20.33 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.553 -0.749 . . . . 73.55 109.85 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.81 -6.13 73.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.876 -0.678 . . . . 63.13 112.612 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -18.68 13.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.822 -0.222 . . . . 75.13 111.433 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 48.0 ttm 61.18 101.14 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.678 0.752 . . . . 62.24 111.975 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 17.5 t70 -73.14 168.09 19.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.706 -0.679 . . . . 63.43 109.614 176.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.26 -24.83 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.714 -0.221 . . . . 74.14 110.75 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.53 -43.98 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.009 0.433 . . . . 71.32 109.97 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 5.0 mm-40 -68.54 -37.74 80.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 73.12 109.941 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -70.31 -28.66 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.546 . . . . 74.35 110.843 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.3 t -59.18 -32.68 70.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 63.32 110.839 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.8 tt -96.65 -12.86 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 64.23 110.504 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -76.77 -36.66 56.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.992 -0.549 . . . . 64.4 112.101 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -27.22 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 75.32 110.772 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HE3' HG12 ' A' ' 27' ' ' ILE . 51.5 mmtt -59.83 -48.8 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 70.41 110.403 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.487 HD11 ' HG ' ' A' ' 104' ' ' LEU . 1.3 mp -69.24 -39.65 78.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 74.13 112.191 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 71' ' ' ILE . 38.0 mm -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.112 0.482 . . . . 70.4 110.264 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -71.38 -38.76 71.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.695 -0.684 . . . . 73.5 110.3 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.4 tp -66.59 -41.55 88.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 75.42 111.459 -175.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HE2' HG13 ' A' ' 67' ' ' VAL . 25.6 mtpp -71.62 -27.33 63.03 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.59 -0.444 . . . . 64.51 111.348 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.76 -34.62 74.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.984 0.421 . . . . 74.3 110.588 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -75.47 -25.96 57.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 75.22 110.535 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.12 45.75 0.67 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.538 -0.839 . . . . 63.34 113.344 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 47.7 m-85 -110.22 159.09 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.037 0.446 . . . . 65.22 110.718 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.436 ' C ' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -116.08 145.45 43.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 65.04 111.362 -178.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.752 HD11 ' HH2' ' A' ' 25' ' ' TRP . 3.0 mm? -132.14 145.19 56.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 74.31 111.101 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 74' ' ' LEU . 86.2 Cg_endo -87.61 -164.41 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.12 2.547 . . . . 61.31 111.674 172.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.6 m -92.89 10.33 31.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.297 0.57 . . . . 44.14 110.918 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.7 114.51 8.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 71.03 110.725 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.86 ' HG ' HD22 ' A' ' 74' ' ' LEU . 71.8 mt -84.95 156.7 60.68 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.514 -0.312 . . . . 74.53 110.806 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.89 153.56 43.44 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.916 2.411 . . . . 74.54 112.686 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.9 -22.04 27.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 53.13 113.076 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.1 -36.47 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 72.14 111.698 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 59.8 mtp -70.79 -26.61 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 73.4 111.399 -173.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.32 -21.21 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.106 -0.497 . . . . 63.42 111.28 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.234 0.253 0 CA-C-N 115.548 -0.751 . . . . 75.55 109.789 -171.581 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.3 0.572 . . . . 72.31 110.08 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -106.09 14.29 27.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.596 -0.729 . . . . 75.35 110.926 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.2 173.25 6.39 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.841 -1.072 . . . . 73.23 109.905 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -86.5 92.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.236 0.541 . . . . 65.05 110.094 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -70.59 162.44 28.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.151 -0.932 . . . . 63.15 109.837 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 t -49.96 -47.21 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 122.389 0.276 . . . . 64.44 111.221 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.08 -51.26 70.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.446 -0.343 . . . . 42.33 111.171 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.67 -42.42 78.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 70.13 110.2 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 1.1 tmt_? -58.74 -41.61 86.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.344 -0.844 . . . . 72.14 110.022 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.02 -31.48 50.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.885 0.374 . . . . 52.13 111.297 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -59.02 -40.65 85.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 71.43 112.537 -175.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -57.56 -32.4 67.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.806 0.336 . . . . 71.53 111.39 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.22 -49.29 67.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 72.14 111.138 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -73.79 -31.35 63.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.911 -0.586 . . . . 71.3 111.168 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.8 mm100 -64.88 -40.64 95.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.529 -0.545 . . . . 72.1 109.529 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HE1' HD12 ' A' ' 49' ' ' ILE . 32.7 t80 -67.4 -35.82 80.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 72.04 110.092 177.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.85 -41.96 97.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.713 -0.676 . . . . 73.31 109.919 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -75.27 -17.88 60.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.035 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.684 HD13 HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -64.9 -21.02 66.74 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.074 0.464 . . . . 63.31 109.808 178.151 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 66.18 66.78 0.74 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.185 -0.916 . . . . 72.4 110.83 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.46 133.82 27.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.955 1.77 . . . . 72.31 111.237 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.65 -65.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 74.41 110.734 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -101.38 22.88 11.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.205 0.526 . . . . 74.41 110.975 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.33 -2.78 71.55 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.032 -0.827 . . . . 62.45 111.032 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -126.31 169.64 12.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.489 -0.56 . . . . 73.04 109.489 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.684 HG21 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -128.8 -176.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.801 -0.444 . . . . 74.43 109.801 178.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 t -149.46 -177.88 6.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 74.1 109.529 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.26 94.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.44 -0.409 . . . . 71.34 112.696 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.38 -36.34 83.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.705 0.288 . . . . 74.34 111.331 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HB2' ' H ' ' A' ' 50' ' ' THR . 14.4 mm100 -64.91 -46.38 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.558 0.218 . . . . 75.3 110.566 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.74 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.324 0.583 . . . . 53.21 110.242 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.58 -42.5 64.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.907 -1.042 . . . . 74.14 111.483 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -75.77 -48.66 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.296 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 78.4 t80 -58.26 -47.14 84.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.538 -0.301 . . . . 72.35 111.748 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.961 ' HB3' HD22 ' A' ' 68' ' ' LEU . 3.6 m-85 -59.66 -42.31 92.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 72.43 110.444 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -70.92 -34.9 71.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.532 . . . . 71.21 110.347 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -22.45 64.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.759 . . . . 73.33 110.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m -70.23 -18.99 63.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.046 -0.524 . . . . 52.42 111.093 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.19 21.88 9.67 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.559 -0.829 . . . . 41.41 112.859 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 99' ' ' LEU . 87.6 mt -111.57 143.79 29.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 110.413 -0.218 . . . . 74.44 110.413 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 22.4 Cg_exo -66.08 153.55 77.65 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.749 2.3 . . . . 72.01 111.929 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.0 tt0 -57.03 -46.45 99.87 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.091 0.774 . . . . 74.21 113.091 -175.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 12.4 Cg_endo -57.42 -24.35 60.33 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.053 1.835 . . . . 75.41 112.11 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.767 HG13 ' HE2' ' A' ' 98' ' ' LYS . 77.1 t -80.6 -38.86 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 74.3 109.952 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.3 mt -63.24 -50.58 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.264 -0.88 . . . . 73.43 111.086 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.79 65.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 61.5 111.822 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -67.51 -37.52 82.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.342 -0.39 . . . . 64.31 111.072 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.725 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.8 mt -69.49 -47.38 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 74.53 109.903 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.439 ' HD1' ' SD ' ' A' ' 83' ' ' MET . 22.1 t90 -62.04 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.275 -0.875 . . . . 73.54 111.278 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.19 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 62.42 111.308 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.768 HD13 HD23 ' A' ' 108' ' ' LEU . 23.3 mt -84.73 -31.34 24.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 64.33 111.682 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -63.96 -59.15 4.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.214 -0.903 . . . . 41.12 112.536 -172.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.86 ' HB3' ' HG2' ' A' ' 83' ' ' MET . 39.1 p-10 -78.06 95.44 4.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 122.108 0.956 . . . . 72.32 110.303 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.4 mtm -59.83 -30.26 68.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.895 -1.048 . . . . 54.32 111.011 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -84.89 -11.96 54.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 54.11 110.27 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.547 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.0 t-20 47.74 62.71 2.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.161 -0.927 . . . . 62.3 111.374 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.5 -17.53 17.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 63.15 110.53 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.3 4.8 66.05 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.679 -0.772 . . . . 64.42 113.313 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -121.06 -41.61 2.53 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 117.458 0.629 . . . . 71.31 110.733 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.86 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 62.4 mtm 69.73 130.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.226 0.954 . . . . 74.23 111.624 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.55 -178.62 4.19 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.168 -1.049 . . . . 63.4 108.168 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.23 -25.67 67.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.568 0.223 . . . . 60.23 110.616 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.22 -54.05 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 41.42 110.275 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 21.1 mp0 -65.36 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 53.25 110.671 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.58 -31.01 67.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 71.23 110.822 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.3 t -64.15 -26.87 68.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.849 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 108' ' ' LEU . 15.5 tt -96.5 -23.66 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.955 0.407 . . . . 71.41 110.264 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -70.62 -36.8 73.68 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.126 -0.488 . . . . 42.22 111.716 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.072 0.463 . . . . 63.04 110.823 -177.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -67.53 -42.74 82.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 74.44 109.467 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 71' ' ' ILE . 3.0 tp -69.67 -37.39 76.67 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.845 -0.616 . . . . 74.51 110.72 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ALA . 56.9 mt -59.51 -46.67 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.865 -0.42 . . . . 62.43 109.865 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.2 -48.53 81.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 74.11 111.289 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.67 -42.26 86.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.296 -0.411 . . . . 51.32 111.771 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.767 ' HE2' HG13 ' A' ' 67' ' ' VAL . 41.3 mtpt -73.39 -26.82 61.15 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.46 -0.496 . . . . 75.21 111.149 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.537 ' HA ' HD21 ' A' ' 63' ' ' LEU . 25.5 mt -61.19 -31.35 71.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.822 0.344 . . . . 74.33 110.562 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.64 -25.12 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.598 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 113.4 53.14 0.47 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 21.34 113.144 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -126.9 157.08 40.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.067 -0.346 . . . . 75.05 110.067 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.52 133.7 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.268 -0.424 . . . . 74.0 110.474 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 mp -131.63 144.7 54.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.503 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.565 ' O ' HD11 ' A' ' 74' ' ' LEU . 87.4 Cg_endo -86.36 -164.76 0.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.14 2.56 . . . . 75.34 111.466 173.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.664 ' HA ' HD21 ' A' ' 74' ' ' LEU . 19.4 m -72.64 -0.46 13.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 75.11 111.634 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.53 82.09 8.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.002 0.429 . . . . 73.13 110.674 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -75.77 139.46 70.22 Favored Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 108.831 -0.803 . . . . 51.14 108.831 177.045 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.576 ' HD2' HD13 ' A' ' 108' ' ' LEU . 34.5 Cg_exo -62.34 152.15 78.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.154 1.902 . . . . 64.44 112.489 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.29 -14.62 14.69 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.48 2.12 . . . . 64.3 112.227 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.89 -40.91 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.382 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 69.8 mmm -61.38 -43.43 98.88 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.044 0.45 . . . . 53.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 9.7 ptmt -89.6 -13.94 36.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 63.44 110.922 -176.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 N--CA 1.466 0.335 0 C-N-CA 124.172 0.989 . . . . 75.33 113.405 175.533 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m . . . . . 0 C--O 1.235 0.31 0 CA-C-O 121.406 0.622 . . . . 73.42 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.701 ' CH2' HD21 ' A' ' 104' ' ' LEU . 22.0 m95 -104.56 0.59 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.4 -0.818 . . . . 74.14 111.217 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.37 140.27 30.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.184 -0.916 . . . . 34.34 110.437 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.47 100.24 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 63.32 110.905 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.844 HG22 ' HG2' ' A' ' 31' ' ' GLU . 1.8 t -86.6 177.86 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 73.05 109.941 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.47 -51.86 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 122.28 0.232 . . . . 63.2 111.617 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.08 -41.73 93.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.536 -0.302 . . . . 70.4 110.781 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.844 ' HG2' HG22 ' A' ' 28' ' ' THR . 10.4 mm-40 -62.27 -43.07 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.38 0.609 . . . . 60.43 110.369 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.13 -32.54 73.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.7 -0.682 . . . . 73.03 110.685 -176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.65 -17.95 34.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.487 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' SD ' ' A' ' 92' ' ' MET . 46.2 tptt -59.51 -43.24 93.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 75.32 111.946 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.0 p-80 -57.45 -34.66 69.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.431 -0.35 . . . . 75.32 111.864 -174.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.59 -45.46 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.162 0.506 . . . . 62.43 110.585 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -50.18 73.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.246 -0.888 . . . . 64.43 109.872 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.38 -43.22 95.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.32 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -58.27 -37.16 74.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.063 0.459 . . . . 63.3 110.543 -178.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.06 -41.32 95.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.846 -0.616 . . . . 74.24 110.443 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 t -77.48 -18.87 56.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.851 -0.613 . . . . 55.21 111.593 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -0.76 15.96 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.407 0.521 . . . . 44.3 112.407 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 68.86 68.27 0.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.422 -0.808 . . . . 73.12 110.855 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.59 124.08 8.0 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.407 1.405 . . . . 73.5 111.403 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -53.8 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.478 -0.783 . . . . 74.53 109.435 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -146.92 -46.9 0.18 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.272 -1.01 . . . . 74.4 108.272 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.06 37.22 0.33 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.186 -1.166 . . . . 73.14 110.186 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -139.97 156.74 46.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.396 -0.402 . . . . 62.13 110.68 -173.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.529 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -136.76 166.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.827 -0.805 . . . . 75.14 108.827 170.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -141.13 168.98 18.49 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.121 -0.231 . . . . 64.22 110.873 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.67 -34.57 82.58 Favored Glycine 0 C--N 1.334 0.453 0 O-C-N 123.359 0.412 . . . . 62.04 112.524 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.76 -53.06 61.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.721 0.296 . . . . 64.11 111.511 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -70.65 -31.23 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 73.44 110.331 -178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.54 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 109.969 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 96.0 mtt180 -60.03 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 72.31 110.971 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.2 -39.46 79.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 63.33 111.167 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.87 -59.21 5.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.731 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.694 ' CE1' ' HA ' ' A' ' 55' ' ' ARG . 1.3 p90 -75.85 -17.35 59.85 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.011 -0.676 . . . . 70.1 111.748 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -40.7 97.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.621 -0.511 . . . . 65.4 109.621 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.99 -8.65 57.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.786 -0.643 . . . . 61.42 111.266 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 58' ' ' PHE . 20.1 m -77.12 -19.99 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.953 0.406 . . . . 75.04 110.439 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.74 23.87 34.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.43 113.311 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HB2' HD21 ' A' ' 68' ' ' LEU . 68.1 mt -95.36 148.34 34.48 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.84 -0.43 . . . . 71.01 109.84 175.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 39.2 Cg_exo -62.15 153.1 71.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.948 2.432 . . . . 65.51 112.241 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.1 mt-30 -52.23 -51.21 74.17 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 112.868 0.692 . . . . 75.31 112.868 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 11.6 Cg_endo -56.27 -35.01 95.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.132 1.888 . . . . 63.31 112.046 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 68.4 t -74.27 -39.08 48.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.982 -0.554 . . . . 74.13 110.448 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 83.7 mt -62.01 -51.62 67.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.777 -0.647 . . . . 73.24 110.532 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -32.28 71.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 75.22 110.712 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.65 -34.78 78.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.459 178.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.827 HG13 ' HD2' ' A' ' 98' ' ' LYS . 55.5 mt -66.03 -51.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.725 0.298 . . . . 64.33 110.436 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -66.5 -41.46 88.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.128 -0.487 . . . . 75.03 111.126 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.13 66.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 62.31 111.278 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 104' ' ' LEU . 11.6 mt -91.54 -44.36 9.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 73.24 111.225 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -67.38 -34.07 76.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 55.24 111.423 -176.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.722 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -75.28 76.78 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.417 -0.957 . . . . 71.22 108.417 174.433 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.75 -44.57 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 74.2 111.794 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -81.17 -14.82 57.22 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.935 -0.765 . . . . 75.52 108.935 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.722 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.6 t-20 42.95 74.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.281 -1.327 . . . . 55.12 113.433 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -102.44 -10.38 19.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.45 0.643 . . . . 72.43 109.598 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.98 18.79 6.67 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.668 -0.777 . . . . 71.32 112.316 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -176.19 134.42 0.25 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.354 0.597 . . . . 74.22 110.404 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.0 ptp -84.91 128.78 34.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.752 -1.113 . . . . 73.31 111.271 -175.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.15 -179.35 5.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 74.13 109.124 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -55.54 -37.21 67.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.882 0.31 . . . . 73.2 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.73 -37.64 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.63 -0.259 . . . . 64.4 111.222 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 90' ' ' ILE . 6.8 mm-40 -73.74 -41.83 61.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.274 0.559 . . . . 73.44 110.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.1 -28.03 69.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 75.35 110.663 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -60.88 -15.2 27.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.829 -0.623 . . . . 70.44 111.585 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 112' ' ' MET . 14.9 tt -104.54 -20.95 5.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.922 0.392 . . . . 75.31 111.428 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -67.72 -22.92 65.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.051 0.453 . . . . 73.03 110.968 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.425 ' SD ' ' HB3' ' A' ' 34' ' ' LYS . 25.6 ptt? -48.18 -41.95 28.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.896 -1.047 . . . . 71.31 112.732 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -13.23 21.4 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.773 -0.371 . . . . 64.13 111.669 -173.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.6 mp -70.78 -46.28 63.19 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.799 -0.36 . . . . 60.23 110.819 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 71' ' ' ILE . 53.7 mt -64.45 -42.24 94.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.233 0.54 . . . . 73.22 109.546 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.85 -38.02 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.086 -0.961 . . . . 72.33 110.832 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.81 -38.72 27.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 71.24 111.321 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.827 ' HD2' HG13 ' A' ' 71' ' ' ILE . 36.6 mttp -69.4 -30.05 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.958 -0.297 . . . . 73.4 111.498 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.55 -14.13 61.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 61.44 110.557 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -90.87 -5.61 55.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.288 0.566 . . . . 65.04 110.039 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.84 55.41 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.886 -0.597 . . . . 75.32 112.83 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -137.18 162.44 33.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.206 0.527 . . . . 63.44 111.118 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' C ' HD12 ' A' ' 104' ' ' LEU . 5.0 pm0 -142.59 165.14 28.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.22 -0.9 . . . . 74.22 109.463 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.4 mp -140.62 167.08 18.9 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.67 -0.492 . . . . 74.43 109.67 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.5 -169.74 0.51 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.342 2.028 . . . . 72.4 111.31 168.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.1 m -85.53 -4.85 59.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.176 0.513 . . . . 64.05 111.069 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.71 115.56 20.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 53.43 111.069 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.34 155.18 46.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.143 -0.481 . . . . 55.01 110.305 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 51.2 Cg_exo -56.21 152.82 36.24 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.907 2.404 . . . . 72.41 113.328 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 16.6 Cg_exo -68.87 -17.4 41.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.142 2.561 . . . . 73.22 112.495 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.44 -26.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.578 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.757 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -74.34 -25.45 59.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.923 -0.581 . . . . 74.41 111.371 -178.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.31 -6.08 17.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 71.21 110.764 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 115.25 -0.886 . . . . 53.43 111.736 -179.249 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 120.76 0.314 . . . . 65.41 110.946 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -112.62 -16.3 12.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.614 0.598 . . . . 75.22 112.614 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.23 164.58 21.1 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.47 -0.492 . . . . 42.23 110.495 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.24 96.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 75.34 110.216 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 29' ' ' VAL . 28.0 m -74.75 166.84 22.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.736 -0.665 . . . . 72.12 109.825 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 28' ' ' THR . 9.4 p -48.72 -38.02 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 122.665 0.386 . . . . 74.24 111.617 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.07 -55.45 34.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.637 -0.256 . . . . 74.51 111.3 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -34.01 76.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.19 0.519 . . . . 73.33 110.219 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -66.8 -39.91 87.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 74.25 110.277 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 -33.37 47.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.318 -0.401 . . . . 61.13 111.601 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -57.81 -28.09 63.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.335 0.494 . . . . 54.04 112.335 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -63.0 -26.23 68.76 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.501 -0.48 . . . . 52.42 111.751 -176.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 35' ' ' HIS . 21.5 t70 -72.49 -49.38 33.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.226 0.536 . . . . 72.31 110.509 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.22 -35.46 78.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.337 -0.847 . . . . 62.31 111.038 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 52.13 110.563 177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 1.0 OUTLIER -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.431 0.634 . . . . 64.41 110.134 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.86 -37.31 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.128 -0.942 . . . . 71.12 111.109 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -76.22 -18.2 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.974 -176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 88' ' ' PHE . 4.2 mm? -74.34 -11.17 60.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 75.21 111.522 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 59.96 66.29 2.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.614 -0.721 . . . . 70.21 110.244 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.25 129.2 30.46 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.771 2.314 . . . . 61.13 112.841 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 tt -93.4 119.97 42.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.0 -1.0 . . . . 75.55 109.377 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m 63.77 -81.49 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.747 -0.66 . . . . 72.13 110.027 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.43 21.43 0.73 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.283 -0.484 . . . . 24.12 111.999 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.45 -179.2 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.762 0.315 . . . . 72.22 110.422 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.95 178.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.832 -0.433 . . . . 71.41 109.832 176.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.5 p -126.66 -178.65 4.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.487 -0.324 . . . . 74.51 110.771 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' H ' ' HG2' ' A' ' 82' ' ' ARG . . . -69.06 -41.32 81.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.046 -0.597 . . . . 63.5 112.554 -176.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.57 -41.96 98.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.643 0.259 . . . . 54.04 110.451 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.8 -45.67 92.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 54.3 110.498 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -55.22 36.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.825 -0.625 . . . . 51.15 111.143 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 3.5 tmm_? -63.48 -34.93 78.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.589 -176.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.59 -48.1 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 71.33 110.772 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.67 -44.84 95.98 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.293 -0.412 . . . . 73.41 111.313 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.924 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.1 m-30 -55.29 -45.99 76.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 73.21 110.311 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.62 -31.91 69.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 75.51 110.56 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -29.64 70.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.805 -0.634 . . . . 72.33 109.686 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 m -66.09 -29.27 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.879 -0.6 . . . . 72.23 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 6.67 29.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.486 -0.864 . . . . 15.23 113.364 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.19 144.9 39.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.905 0.353 . . . . 70.04 110.323 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.4 Cg_endo -62.45 154.33 64.98 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.716 2.277 . . . . 74.25 112.548 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.7 tt0 -55.79 -49.2 94.26 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.184 0.809 . . . . 62.15 113.184 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.8 Cg_endo -55.25 -34.8 89.51 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.988 1.792 . . . . 64.3 112.116 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG13 ' HD3' ' A' ' 98' ' ' LYS . 59.8 t -74.33 -36.65 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.74 -0.664 . . . . 70.14 110.501 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 58' ' ' PHE . 58.7 mt -62.12 -50.31 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 73.4 110.118 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.08 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.928 -1.033 . . . . 53.11 110.575 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -46.72 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 73.3 110.343 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.537 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.4 mt -64.13 -48.75 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.634 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.46 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.2 t90 -65.91 -40.69 91.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 70.52 111.295 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 53.43 110.987 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.788 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.1 mt -79.43 -46.78 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 71.22 111.075 175.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.54 -50.04 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.705 -0.68 . . . . 55.2 111.75 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -77.64 81.5 4.08 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.252 -0.647 . . . . 64.21 109.252 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.6 mtm -61.03 -30.15 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.979 -1.01 . . . . 74.25 111.25 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.72 -10.69 44.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.746 -0.464 . . . . 73.4 109.746 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.441 HD22 ' HA ' ' A' ' 79' ' ' ASN . 2.2 t-20 53.07 47.54 24.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.266 -0.879 . . . . 75.2 110.266 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.23 -35.0 66.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 71.5 109.834 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 102.55 3.51 50.0 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.569 -0.742 . . . . 73.45 111.662 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 84.8 mtt180 -138.18 -30.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.577 0.227 . . . . 75.25 111.048 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.3 mtm 68.35 150.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.266 0.979 . . . . 64.22 111.316 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 12.9 t70 -107.83 -167.85 1.3 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.307 -0.997 . . . . 71.34 108.307 175.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.5 mm-40 -70.52 -27.66 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.035 0.445 . . . . 65.04 110.254 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.64 -55.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 65.2 110.148 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.62 -32.78 74.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 64.44 110.943 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 58.6 t80 -69.41 -39.65 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 74.35 110.501 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 t -60.53 -37.75 82.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 73.42 110.536 -176.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.1 tt -82.71 -27.45 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.843 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -63.74 -35.64 81.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.269 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -54.9 -43.3 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 60.42 110.76 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' LYS . 38.1 tptt -65.51 -41.26 93.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 70.01 111.158 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -64.7 -33.73 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.478 -0.328 . . . . 64.32 111.801 -175.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' ' 58' ' ' PHE . 58.5 mt -65.46 -50.31 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.14 0.495 . . . . 75.43 109.869 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 59.8 mmtt -64.78 -40.05 94.61 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.454 -0.794 . . . . 65.13 110.163 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 15.5 tp -57.0 -50.81 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.072 -0.967 . . . . 74.42 111.024 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HD3' HG13 ' A' ' 67' ' ' VAL . 47.3 mttp -68.7 -28.76 67.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.193 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -77.06 -13.85 59.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.329 -0.396 . . . . 41.41 111.068 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 31.4 mm-40 -88.71 -24.87 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.52 110.57 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.79 57.48 0.49 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.656 -0.783 . . . . 33.35 112.602 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.548 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 97.0 m-85 -133.41 167.69 19.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.006 -0.368 . . . . 73.35 110.006 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -131.5 165.53 23.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 73.12 110.195 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.514 HD21 HD23 ' A' ' 108' ' ' LEU . 24.9 tp -168.55 142.12 2.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.436 ' O ' HD11 ' A' ' 74' ' ' LEU . 3.1 Cg_endo -87.91 -163.68 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.46 2.774 . . . . 61.34 112.28 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.3 m -76.01 5.95 5.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.825 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.0 117.98 34.8 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.288 -0.414 . . . . 54.33 111.148 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.788 ' HG ' HD22 ' A' ' 74' ' ' LEU . 81.0 mt -90.84 144.56 30.42 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 63.25 110.259 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 38.1 Cg_endo -67.84 152.24 77.55 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 121.914 1.742 . . . . 74.43 111.797 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.2 Cg_exo -70.89 -7.04 20.52 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.213 2.609 . . . . 74.25 113.002 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.1 t -82.76 -39.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.429 . . . . 65.4 111.245 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.479 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 82.3 mtp -72.75 -35.49 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 53.55 110.723 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -9.67 48.4 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 64.4 109.755 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.235 0.303 0 CA-C-N 115.192 -0.913 . . . . 60.52 111.732 -179.273 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 121.01 0.433 . . . . 71.04 110.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 112' ' ' MET . 89.6 m95 -90.68 -23.29 20.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.845 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.72 144.62 56.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.04 -0.527 . . . . 64.42 110.444 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.51 102.37 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.369 0.604 . . . . 73.3 109.507 174.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 159.29 25.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.093 -0.958 . . . . 74.44 110.456 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.54 -34.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.185 0.517 . . . . 52.24 110.949 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.32 -47.17 68.26 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.64 -0.709 . . . . 63.13 110.917 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.8 -37.44 84.38 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.525 0.678 . . . . 71.32 109.858 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 4.1 tmt_? -61.42 -34.77 75.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.172 -0.922 . . . . 75.52 110.381 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.69 -23.27 27.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 74.43 111.547 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.28 -35.09 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.875 -0.602 . . . . 74.41 112.012 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p80 -57.38 -34.97 69.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 65.41 111.831 -175.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 13.8 t70 -67.1 -39.4 86.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.444 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.25 -46.02 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 75.24 110.552 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.28 -44.75 71.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 62.35 110.778 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' HZ ' ' HA ' ' A' ' 48' ' ' PHE . 60.1 t80 -62.27 -39.69 93.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.84 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.38 -31.74 71.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 75.43 110.551 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 m -75.6 -19.49 59.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.003 -0.544 . . . . 31.4 111.981 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 57' ' ' PHE . 65.7 mt -81.86 3.79 24.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.814 0.302 . . . . 75.32 111.814 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 54.82 73.27 0.91 Allowed Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 123.843 0.715 . . . . 55.52 111.236 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -51.11 128.45 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.964 1.776 . . . . 52.15 111.648 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.89 -27.18 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.499 0.666 . . . . 75.12 110.993 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -141.71 -69.04 0.37 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.224 -1.028 . . . . 65.02 108.224 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.07 19.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.391 -1.083 . . . . 71.34 110.391 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.623 ' HA ' ' HZ ' ' A' ' 39' ' ' PHE . 20.1 p90 -163.38 177.19 9.13 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.625 -0.288 . . . . 75.41 110.333 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.55 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 65.1 110.336 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 52' ' ' ASP . 10.3 t -148.21 176.71 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 60.24 109.955 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.44 -31.74 63.45 Favored Glycine 0 C--N 1.332 0.307 0 O-C-N 123.272 0.357 . . . . 75.2 113.134 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.484 ' H ' HG23 ' A' ' 50' ' ' THR . 35.5 t70 -60.97 -41.0 95.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 60.43 110.77 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.39 -42.28 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 71.33 109.981 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.18 85.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.56 -0.745 . . . . 64.13 111.06 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -60.26 -39.56 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.811 -0.631 . . . . 72.21 111.55 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -75.0 -32.99 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.646 -0.252 . . . . 71.24 110.826 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.82 ' HD2' HD21 ' A' ' 42' ' ' LEU . 62.7 t80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.628 -0.508 . . . . 54.3 109.628 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.948 ' HB3' HD22 ' A' ' 68' ' ' LEU . 22.4 m-30 -53.3 -48.71 68.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 74.2 110.724 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.19 -48.09 81.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.809 . . . . 74.23 111.87 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.73 -3.05 19.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 74.3 111.575 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -84.71 -17.93 36.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 73.3 110.585 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.9 38.61 5.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.467 -0.873 . . . . 73.22 113.138 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 68' ' ' LEU . 60.9 mt -130.53 150.3 75.92 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 110.355 -0.239 . . . . 52.52 110.355 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 14.6 Cg_exo -69.89 149.21 65.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.931 2.421 . . . . 74.03 112.019 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 68' ' ' LEU . 40.1 mt-30 -53.44 -44.51 97.72 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 113.491 0.923 . . . . 73.42 113.491 -176.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.43 -34.64 42.28 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.136 1.891 . . . . 72.35 112.754 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 47.0 t -83.07 -32.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.425 0.631 . . . . 74.31 110.078 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.948 HD22 ' HB3' ' A' ' 58' ' ' PHE . 72.0 mt -66.9 -48.11 69.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.348 -0.842 . . . . 55.42 110.935 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.84 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.384 -0.826 . . . . 62.24 111.138 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.468 HE22 HD12 ' A' ' 74' ' ' LEU . 1.1 tm0? -61.37 -42.88 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 70.1 109.582 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.025 HD13 HG12 ' A' ' 95' ' ' ILE . 35.7 mt -66.89 -46.17 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.676 -0.693 . . . . 72.52 110.3 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.611 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 21.1 t90 -64.12 -39.76 94.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.442 -0.799 . . . . 65.12 111.314 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.02 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 53.25 110.937 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.802 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.2 mt -91.07 -31.39 16.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.541 -0.754 . . . . 62.1 112.443 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -63.18 -69.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.14 0.422 . . . . 71.31 112.14 -168.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 100.69 8.44 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.543 -0.863 . . . . 73.33 108.726 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.6 mtm -51.84 -29.53 19.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.072 -1.422 . . . . 74.22 112.904 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -77.98 -11.13 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.939 0.399 . . . . 61.32 110.242 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.35 53.25 8.97 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.947 -1.131 . . . . 64.32 107.947 -169.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.78 -28.9 30.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.894 -1.503 . . . . 55.13 110.345 -170.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.56 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 87.54 16.22 60.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.716 -0.754 . . . . 54.3 111.716 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -103.38 -44.04 5.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.932 0.345 . . . . 74.25 111.932 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.4 ttm 51.69 78.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.303 -0.862 . . . . 71.31 109.541 -163.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.12 175.33 6.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.201 -0.909 . . . . 74.01 109.213 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.84 -32.01 71.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.444 -0.206 . . . . 74.02 110.444 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.55 -46.02 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 72.3 110.141 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.26 -38.21 87.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.506 0.669 . . . . 55.02 109.823 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.12 -29.4 69.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.558 -0.746 . . . . 64.21 110.324 175.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -66.51 -33.06 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 64.21 110.733 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 108' ' ' LEU . 18.0 tt -92.6 -23.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.273 0.559 . . . . 61.21 110.619 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -84.56 -22.74 29.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 60.45 112.039 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 13.3 ptm -56.34 -39.76 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 63.42 111.865 -176.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 13.0 ptpt -91.8 -4.29 55.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.028 -0.669 . . . . 71.24 111.392 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -67.02 -48.61 67.83 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.174 -0.676 . . . . 72.53 109.174 173.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 1.025 HG12 HD13 ' A' ' 71' ' ' ILE . 22.5 mt -63.87 -38.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.508 0.671 . . . . 73.42 109.663 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 84.1 tttt -55.24 -43.52 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.595 -1.184 . . . . 63.34 110.874 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.15 -18.33 29.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 74.12 112.028 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.673 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -57.58 -49.58 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.092 0.472 . . . . 74.35 109.967 173.35 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.01 -22.01 62.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.384 -0.826 . . . . 71.03 111.006 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.74 -26.99 29.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.3 110.741 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.87 0.75 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.731 -0.747 . . . . 75.2 113.741 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -129.06 148.24 50.99 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.667 -0.864 . . . . 72.21 108.667 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.628 ' HA ' ' NZ ' ' A' ' 98' ' ' LYS . 10.6 pt20 -117.08 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.287 -0.565 . . . . 75.43 112.417 -175.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.589 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 28.7 mt 66.55 148.46 0.11 Allowed Pre-proline 0 N--CA 1.468 0.445 0 C-N-CA 123.211 0.604 . . . . 73.22 111.529 -170.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 3.1 Cg_endo -87.26 -164.7 0.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.256 2.637 . . . . 61.12 111.116 171.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.526 ' HA ' HD21 ' A' ' 74' ' ' LEU . 5.9 p -73.27 -5.19 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.437 0.637 . . . . 64.32 111.267 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.06 100.35 12.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.587 -0.733 . . . . 70.41 111.061 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.802 ' HG ' HD22 ' A' ' 74' ' ' LEU . 24.9 mt -71.18 144.36 89.66 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.624 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 17.2 Cg_exo -68.79 151.94 74.14 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.373 2.049 . . . . 61.41 111.857 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 11.1 Cg_exo -72.11 -19.58 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 123.108 2.539 . . . . 71.25 112.438 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.93 -18.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.77 -0.65 . . . . 64.32 110.702 -174.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 70.2 mtp -92.0 -21.14 20.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 61.13 110.565 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -74.28 -31.34 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.858 -0.61 . . . . 75.32 111.565 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.703 0.764 . . . . 55.44 112.478 -178.095 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 73.52 111.369 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.468 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 53.8 m95 -100.4 -24.14 14.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.221 0.534 . . . . 70.44 110.68 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.0 116.14 6.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.474 -0.784 . . . . 75.43 111.948 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -92.69 88.76 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.585 0.707 . . . . 71.43 109.19 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -172.96 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.159 -0.928 . . . . 73.34 111.36 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.31 -41.11 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 62.4 110.766 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.14 -32.89 74.38 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.621 0.248 . . . . 44.52 110.77 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HE1' ' A' ' 92' ' ' MET . 32.6 mm-40 -71.5 -36.88 71.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.388 0.613 . . . . 74.33 109.494 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' HD2' ' A' ' 35' ' ' HIS . 25.2 ttm180 -63.24 -48.66 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.702 -0.681 . . . . 74.04 110.119 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.05 78.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.996 -0.547 . . . . 60.05 110.62 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.09 -48.28 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 62.01 111.837 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.7 p80 -64.53 -32.59 74.29 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 119.959 -0.697 . . . . 75.43 109.176 -175.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.49 -50.13 66.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.321 -0.854 . . . . 71.54 111.42 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.35 -42.04 90.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.169 0.509 . . . . 75.42 110.923 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.56 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -71.1 -40.06 71.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.853 -0.612 . . . . 71.21 110.562 178.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.823 ' HE1' HG23 ' A' ' 49' ' ' ILE . 12.6 t80 -55.43 -46.04 76.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 75.42 110.042 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -59.81 -43.11 94.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.132 -0.94 . . . . 73.23 111.272 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -75.26 -19.13 59.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.883 -0.598 . . . . 51.33 112.354 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 38' ' ' GLN . 59.3 mt -79.89 1.78 25.87 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.392 0.516 . . . . 73.01 112.392 -174.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 60.37 66.2 1.98 Allowed Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 109.752 -0.462 . . . . 52.22 109.752 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.67 147.17 81.12 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.861 1.708 . . . . 75.3 111.918 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.4 mt -76.67 95.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.167 -0.679 . . . . 71.45 109.167 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m 66.97 -69.89 0.12 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.853 0.721 . . . . 74.51 111.328 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.58 17.1 0.75 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.58 -0.819 . . . . 31.44 112.758 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.9 173.02 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.533 0.206 . . . . 73.11 110.531 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.823 HG23 ' HE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -124.67 -177.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.875 -0.417 . . . . 63.5 109.875 174.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.745 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.4 m -141.93 -173.24 3.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.359 -0.608 . . . . 71.45 109.359 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 50' ' ' THR . . . -54.33 -42.01 73.0 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.562 -0.351 . . . . 72.53 113.479 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.681 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 6.8 m-20 -61.55 -42.39 98.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.042 0.421 . . . . 64.21 111.568 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 10.5 mm100 -65.97 -37.14 85.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.805 -0.443 . . . . 74.05 109.805 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.11 96.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 74.2 110.314 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HD2' ' HA ' ' A' ' 52' ' ' ASP . 98.1 mtt180 -52.51 -50.54 62.59 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.63 -0.714 . . . . 74.31 111.2 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 27.6 t-20 -64.6 -44.89 89.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 74.02 111.315 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 42' ' ' LEU . 67.8 t80 -56.99 -49.57 75.35 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.803 0.335 . . . . 72.31 110.996 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 95' ' ' ILE . 12.9 m-30 -65.18 -43.86 90.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.258 -0.428 . . . . 63.31 110.478 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.454 ' HD1' HD11 ' A' ' 68' ' ' LEU . 63.5 t80 -67.0 -39.49 87.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.221 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -59.79 -22.91 62.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 72.53 111.024 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 m -80.01 -8.44 59.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.419 . . . . 73.43 111.37 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.01 43.16 5.13 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.616 -0.802 . . . . 73.54 112.64 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 HG11 ' A' ' 67' ' ' VAL . 66.9 mt -119.25 143.87 35.12 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 122.867 -0.196 . . . . 73.15 110.513 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.575 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 40.6 Cg_endo -70.77 163.06 40.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.854 2.369 . . . . 74.31 113.123 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.713 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 23.5 tt0 -53.1 -55.16 36.61 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 113.404 0.89 . . . . 74.01 113.404 -172.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 65' ' ' GLN . 35.0 Cg_exo -60.9 -31.35 91.48 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 121.988 1.792 . . . . 63.21 112.341 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG13 ' HD3' ' A' ' 98' ' ' LYS . 53.3 t -71.71 -35.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 62.54 110.713 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 46.7 mt -60.25 -48.25 82.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.587 0.708 . . . . 74.01 109.91 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.77 -37.85 77.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 75.11 111.333 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.529 HE21 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -60.34 -44.88 95.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.401 178.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 98' ' ' LYS . 38.0 mt -66.34 -46.11 87.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.461 -0.336 . . . . 73.51 110.363 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -62.12 -44.79 95.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.916 -0.584 . . . . 74.42 111.33 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.45 71.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.981 0.419 . . . . 63.44 111.655 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.739 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.9 mp -88.03 -27.85 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 65.43 112.121 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -62.73 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.42 0.526 . . . . 64.44 112.42 -170.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.781 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 p-10 -84.08 94.39 8.32 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.746 0.784 . . . . 54.32 110.023 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.8 ptp -59.27 -30.75 68.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.649 -1.159 . . . . 54.22 111.778 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.602 HD22 ' HB2' ' A' ' 80' ' ' ASP . 11.9 t30 -68.29 -13.03 61.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.734 -0.666 . . . . 73.02 110.29 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 46.74 67.85 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.111 -0.95 . . . . 64.43 111.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.602 ' HB2' HD22 ' A' ' 78' ' ' ASN . 22.2 t70 -105.09 -15.99 14.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.335 -0.848 . . . . 73.35 109.694 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.0 36.09 64.59 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.855 -0.898 . . . . 74.12 110.855 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 50' ' ' THR . 70.6 ttt180 -146.29 -44.69 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.107 -0.546 . . . . 72.31 109.95 -173.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 15.1 ptp 56.09 115.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 125.341 1.651 . . . . 72.32 112.499 -177.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.45 175.2 10.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.425 -0.954 . . . . 74.51 108.425 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.524 HE22 HD12 ' A' ' 49' ' ' ILE . 15.8 mm-40 -56.09 -23.61 34.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.088 0.773 . . . . 52.33 113.088 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.44 -54.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.612 -0.514 . . . . 74.31 109.612 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.781 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.0 mp0 -66.62 -28.66 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 61.14 110.729 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 93.5 t80 -67.47 -38.94 85.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.988 0.423 . . . . 74.12 110.478 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -66.72 -36.17 81.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.901 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 87' ' ' GLU . 17.0 tt -79.78 -30.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.37 -0.377 . . . . 70.14 110.651 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -72.96 -37.26 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.583 -0.281 . . . . 72.11 111.508 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.433 ' HE1' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -72.19 -24.97 61.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.019 0.437 . . . . 71.31 110.258 -179.407 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -76.6 -37.17 56.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 75.33 110.099 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' OH ' ' A' ' 102' ' ' TYR . 1.2 mp -59.42 -34.64 72.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.638 -0.71 . . . . 73.45 111.317 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.743 HD13 HD13 ' A' ' 71' ' ' ILE . 37.0 mm -56.02 -45.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 74.34 111.865 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 96' ' ' LYS . 7.4 tmtm? -61.69 -42.74 99.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.504 -0.317 . . . . 74.22 110.309 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 tp -79.13 -26.86 42.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.211 0.529 . . . . 73.14 110.293 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.776 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.3 -31.31 67.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.5 178.335 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.81 -19.34 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 72.21 110.546 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -86.18 -17.03 35.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 72.12 110.535 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.68 45.18 6.92 Favored Glycine 0 C--O 1.226 -0.351 0 C-N-CA 121.119 -0.562 . . . . 73.14 113.186 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.42 ' OH ' ' HG ' ' A' ' 94' ' ' LEU . 5.0 p90 -81.64 170.09 16.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.125 0.462 . . . . 64.54 110.42 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -130.03 134.12 47.19 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.74 -0.663 . . . . 61.12 110.474 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.2 tp -159.33 144.23 11.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 75.34 109.617 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.74 178.65 5.51 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.754 2.303 . . . . 44.23 111.758 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.739 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 40.2 m -66.39 -15.3 63.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.96 0.41 . . . . 45.54 111.236 -174.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.82 86.7 7.32 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.193 0.52 . . . . 73.35 110.861 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -78.79 150.58 75.75 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.705 -0.679 . . . . 71.52 109.963 174.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.45 152.25 78.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.462 2.108 . . . . 54.41 113.08 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 60.9 Cg_endo -74.22 -5.74 17.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.982 2.455 . . . . 75.2 112.192 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.88 -27.22 29.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.319 0.58 . . . . 71.1 110.215 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' A' ' 25' ' ' TRP . 44.2 mtp -84.42 -48.87 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 73.24 110.66 -178.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 6.9 ptpt -69.64 -19.28 63.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.399 -0.364 . . . . 73.31 110.196 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-N 115.223 -0.898 . . . . 74.45 109.982 -177.464 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 112.083 0.401 . . . . 61.53 112.083 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -91.0 8.77 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 65.41 111.541 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.87 -170.01 1.59 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.155 -0.93 . . . . 31.11 109.628 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -128.7 97.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.515 0.674 . . . . 72.41 109.639 171.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -65.46 158.17 27.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.773 -1.103 . . . . 72.13 109.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.96 -30.22 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.972 0.415 . . . . 64.22 110.231 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.81 -46.67 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 71.53 110.18 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 46.6 mt-10 -66.5 -32.97 74.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.049 0.452 . . . . 73.32 110.237 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -66.18 -38.91 89.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.499 . . . . 71.33 110.1 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.01 56.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 73.53 110.771 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 2.5 tmtm? -60.23 -26.75 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.564 -0.744 . . . . 64.04 110.865 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 8.4 p-80 -58.41 -34.43 70.75 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.864 -0.421 . . . . 73.22 109.864 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.64 -48.46 74.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 52.02 110.253 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.04 -45.36 93.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 54.52 111.015 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HG2' ' HB2' ' A' ' 92' ' ' MET . 3.6 tp-100 -67.6 -50.84 56.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 75.31 110.523 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.785 ' HE1' HG23 ' A' ' 49' ' ' ILE . 3.9 t80 -64.12 -35.43 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 74.44 110.978 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -66.32 -34.41 77.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 72.44 110.201 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 m -75.91 -17.5 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 72.42 111.828 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.8 tt -73.44 -19.65 60.91 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.74 -0.467 . . . . 64.14 109.74 177.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 75.48 0.36 Allowed Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.316 -0.856 . . . . 75.1 110.306 -171.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 10.2 Cg_endo -58.0 136.7 76.75 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.497 2.131 . . . . 74.24 111.591 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.1 tt -66.36 -35.28 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.691 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.64 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -156.55 44.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.749 0.785 . . . . 52.12 109.112 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.86 -1.68 87.93 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.472 -0.785 . . . . 52.32 112.439 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.64 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.4 p90 -143.99 170.1 16.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.656 -0.498 . . . . 72.45 109.656 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.785 HG23 ' HE1' ' A' ' 39' ' ' PHE . 2.3 pt -123.51 179.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 65.12 110.201 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -158.58 -174.63 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.853 -0.795 . . . . 61.34 108.853 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -54.07 -37.68 59.17 Favored Glycine 0 C--N 1.333 0.407 0 O-C-N 123.296 0.373 . . . . 72.32 112.815 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.74 -53.53 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 111.435 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -72.01 -29.74 64.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 71.54 110.901 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.47 94.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 71.13 110.14 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 39.6 mmt180 -58.05 -49.81 75.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 53.41 111.025 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.1 -48.48 79.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.955 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.26 -52.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.516 -0.311 . . . . 70.14 110.824 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 3.9 m-85 -59.19 -47.05 86.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.074 -0.512 . . . . 62.42 111.578 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.6 -38.64 87.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.047 0.451 . . . . 75.14 110.626 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -72.33 -12.01 60.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.046 -0.525 . . . . 65.35 110.76 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -20.98 61.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.252 -0.431 . . . . 63.13 110.31 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.54 8.46 64.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 52.4 112.807 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 68' ' ' LEU . 92.7 mt -90.84 144.29 30.03 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.58 -0.155 . . . . 64.14 110.58 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 36.7 Cg_exo -61.94 158.18 39.82 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.952 2.434 . . . . 70.3 112.513 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 47.4 mt-30 -55.77 -52.81 69.18 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.808 0.67 . . . . 72.24 112.808 -175.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.04 -38.22 92.68 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 121.837 1.692 . . . . 75.12 111.923 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.582 HG13 ' HD2' ' A' ' 98' ' ' LYS . 72.8 t -62.38 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.814 . . . . 63.02 110.766 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 63' ' ' LEU . 96.4 mt -69.7 -48.22 60.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.803 -0.635 . . . . 65.43 110.901 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.7 70.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.509 -0.769 . . . . 75.31 111.101 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.79 -41.24 95.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 71.31 110.314 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 95' ' ' ILE . 67.4 mt -74.92 -40.46 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 54.21 110.808 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.464 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 18.3 t90 -65.11 -40.31 94.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.473 -0.33 . . . . 74.03 110.504 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.9 -17.82 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 64.22 110.734 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 108' ' ' LEU . 12.6 mt -92.52 -37.69 12.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.338 -0.846 . . . . 75.23 112.354 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.86 -63.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.017 0.377 . . . . 62.15 112.017 -169.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.681 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 14.9 p-10 -83.66 93.91 8.0 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.991 0.9 . . . . 74.31 108.872 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -61.14 -29.77 69.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.166 -1.379 . . . . 71.04 111.924 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -82.19 -7.57 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.049 0.452 . . . . 72.24 110.058 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.468 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.7 t-20 49.67 72.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.855 -1.066 . . . . 72.52 110.684 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.45 -19.79 21.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.883 -1.053 . . . . 61.34 109.578 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.464 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 73.55 39.02 50.84 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.712 -0.677 . . . . 44.45 112.013 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HE ' ' HB2' ' A' ' 84' ' ' ASP . 14.7 ptm180 -121.04 -51.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.894 0.378 . . . . 74.45 111.514 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.442 ' N ' ' HG3' ' A' ' 82' ' ' ARG . 48.0 ttm 55.11 81.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.959 -1.019 . . . . 64.34 110.258 -170.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.469 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 4.9 t70 -83.77 -173.17 4.56 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.422 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -18.89 64.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.043 0.449 . . . . 72.33 110.404 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.02 -55.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.814 -0.63 . . . . 73.3 110.07 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 3.4 mp0 -64.04 -42.69 96.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.408 -0.36 . . . . 75.11 110.736 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.83 -32.17 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 65.02 111.122 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.42 -30.29 71.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.713 0.292 . . . . 61.3 111.223 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.457 HD13 HD21 ' A' ' 108' ' ' LEU . 19.7 tt -98.79 -27.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.427 . . . . 74.13 110.835 -178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.74 35.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 72.04 111.979 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 35' ' ' HIS . 22.3 ptt? -57.07 -38.4 73.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.616 -0.265 . . . . 74.13 111.551 -176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -85.26 -15.8 42.29 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.623 -0.431 . . . . 62.44 110.9 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -41.38 71.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.677 -0.49 . . . . 71.33 109.677 174.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 71' ' ' ILE . 31.8 mm -61.12 -40.91 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.367 -0.605 . . . . 63.13 109.367 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 14.6 tmtt? -60.39 -48.12 83.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.018 -0.992 . . . . 72.44 110.955 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.69 -24.97 53.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.962 0.41 . . . . 72.24 111.059 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.582 ' HD2' HG13 ' A' ' 67' ' ' VAL . 16.1 tppt? -70.89 -36.95 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.79 0.329 . . . . 75.24 110.227 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.11 -21.52 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 52.42 110.576 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 68.5 mm-40 -91.49 -12.25 35.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.532 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.11 17.41 20.5 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.794 -0.717 . . . . 64.3 113.645 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -86.51 159.09 19.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.342 0.591 . . . . 75.34 111.028 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -136.21 145.79 46.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.657 -0.701 . . . . 54.22 110.871 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.3 pt? -151.55 144.65 17.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.445 -0.946 . . . . 71.12 108.445 172.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 6.2 Cg_exo -77.36 -168.53 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.02 2.48 . . . . 74.23 112.855 -175.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 p -75.33 -1.24 22.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.401 0.619 . . . . 62.13 111.074 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.7 94.16 7.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 42.44 109.979 174.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 74' ' ' LEU . 13.6 tp -63.07 141.53 97.72 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.131 -0.692 . . . . 62.25 109.131 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 28.0 Cg_exo -63.85 150.9 87.37 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.055 1.837 . . . . 71.35 112.659 -174.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 3.1 Cg_exo -77.31 -25.28 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 123.093 2.529 . . . . 73.32 111.904 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.85 -22.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.929 -0.578 . . . . 72.11 110.767 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.73 -36.93 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.007 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.31 -21.8 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.915 -0.314 . . . . 72.12 110.502 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--O 1.234 0.288 0 CA-C-N 115.752 -0.658 . . . . 65.15 109.708 -175.75 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 121.161 0.505 . . . . 63.35 109.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.69 ' HH2' HD11 ' A' ' 104' ' ' LEU . 96.9 m95 -89.18 -19.84 24.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 74.3 111.007 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.03 141.41 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.046 -0.525 . . . . 75.14 110.431 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -87.64 97.56 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.259 0.552 . . . . 73.53 110.081 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.74 169.29 17.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.224 -0.898 . . . . 51.5 110.443 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -53.02 -41.47 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.511 0.196 . . . . 60.33 110.608 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.66 -49.07 77.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 71.55 110.772 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.894 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 7.7 mm-40 -62.33 -32.88 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 61.14 111.004 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -73.7 -49.89 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.98 -0.555 . . . . 75.34 110.284 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.89 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.447 0.536 . . . . 64.43 112.447 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.894 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 16.5 ptmt -62.94 -25.16 68.21 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 111.727 0.269 . . . . 63.11 111.727 -174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 10.6 p-80 -61.5 -32.31 72.34 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 74.31 110.728 -177.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.41 -52.72 62.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.391 -0.822 . . . . 65.1 111.714 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -68.68 -42.09 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 72.3 111.718 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.725 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . 2.3 mp0 -67.22 -38.56 85.47 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.121 -0.231 . . . . 74.5 111.343 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -60.13 -43.0 96.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.283 0.563 . . . . 75.22 109.616 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -55.45 -35.29 65.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.342 -0.844 . . . . 71.12 111.408 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 m -73.75 -17.84 61.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.779 0.659 . . . . 43.41 112.779 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 57' ' ' PHE . 58.0 mt -91.52 3.07 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.261 -0.275 . . . . 75.51 111.556 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 59.26 70.46 1.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.691 -0.686 . . . . 74.41 111.605 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 30.3 Cg_endo -65.58 134.86 39.84 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.024 1.816 . . . . 51.1 111.494 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.1 mp -74.8 -76.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.163 -0.471 . . . . 74.5 109.983 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.8 m -115.87 28.31 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.312 0.577 . . . . 74.52 109.95 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.57 55.26 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.507 -0.769 . . . . 64.23 111.993 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -128.39 151.79 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 74.12 110.57 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -137.79 -178.27 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.543 -0.753 . . . . 72.31 109.174 175.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 52' ' ' ASP . 15.1 t -136.43 -172.29 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.614 -0.513 . . . . 74.33 109.614 176.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 54' ' ' ALA . . . -60.6 -22.95 60.06 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.498 -0.382 . . . . 73.42 113.474 -175.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.549 ' H ' HG23 ' A' ' 50' ' ' THR . 34.9 t70 -67.1 -43.66 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.821 0.31 . . . . 73.24 110.924 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.03 -38.44 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 63.32 110.088 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -58.56 -40.93 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 65.34 111.878 -177.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 13.3 ptp180 -63.22 -36.66 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.675 0.274 . . . . 60.31 110.954 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.98 -30.15 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 75.53 110.3 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.725 ' HE1' ' HB3' ' A' ' 38' ' ' GLN . 66.1 t80 -57.43 -59.44 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.679 -0.691 . . . . 75.42 111.542 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 14.3 p90 -78.28 -26.42 47.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 72.31 111.119 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -64.42 -39.8 94.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.024 0.44 . . . . 71.42 110.177 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.8 -23.64 65.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 62.53 110.758 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.9 t -61.23 -47.38 86.35 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.489 -0.323 . . . . 74.21 110.847 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.85 30.27 5.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.579 -0.819 . . . . 70.11 113.05 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.5 mt -97.06 157.93 34.16 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.962 -0.384 . . . . 51.11 109.962 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 31.8 Cg_exo -59.87 151.14 73.44 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.67 2.247 . . . . 40.55 112.324 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mp0 -51.25 -50.89 73.25 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.109 0.781 . . . . 72.13 113.109 -176.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.5 Cg_exo -56.62 -34.15 94.91 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.064 1.843 . . . . 62.54 112.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 59.0 t -74.8 -37.33 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.229 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 82.4 mt -62.09 -49.9 74.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.546 -0.752 . . . . 73.51 111.06 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.35 76.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.707 -0.679 . . . . 74.21 110.88 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -64.84 -40.98 96.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.893 -0.594 . . . . 73.23 110.307 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.555 ' HA ' HD23 ' A' ' 94' ' ' LEU . 27.7 mt -55.76 -54.36 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.314 -0.403 . . . . 74.51 110.868 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.78 -47.6 82.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.702 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.86 70.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 73.03 111.553 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 74' ' ' LEU . 3.9 mt -79.23 -31.49 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.575 . . . . 74.52 111.628 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 -63.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.471 -173.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 27.7 p-10 -85.35 86.23 7.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.804 0.811 . . . . 73.03 109.543 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.52 -29.26 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.883 -1.053 . . . . 75.54 111.196 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -71.67 -11.38 60.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 73.14 110.683 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' HA ' HD22 ' A' ' 79' ' ' ASN . 3.0 t-20 54.83 72.18 0.49 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.9 0.857 . . . . 75.2 109.212 -171.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 15.8 t70 -87.39 -39.34 15.36 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.548 -1.206 . . . . 61.13 109.828 -170.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.19 -12.32 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 71.41 111.93 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -119.88 -29.24 5.02 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.586 -0.524 . . . . 74.5 109.586 176.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 ttp 67.64 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.522 -1.217 . . . . 74.31 109.805 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.14 -179.1 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.953 -1.021 . . . . 72.13 110.225 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.64 -47.21 73.78 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.976 0.732 . . . . 71.54 112.976 -169.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.88 -44.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 65.31 110.514 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.582 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 6.2 mp0 -66.68 -41.02 88.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.755 -0.657 . . . . 73.5 110.543 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.88 -31.92 72.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.815 -0.629 . . . . 74.24 110.9 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -72.1 -30.99 65.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.474 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 87' ' ' GLU . 12.7 tt -81.45 -21.0 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 74.23 111.011 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.0 -16.87 63.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 74.03 111.078 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 25.7 mmt -59.31 -31.12 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 70.11 111.601 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.818 ' HG2' HD23 ' A' ' 97' ' ' LEU . 23.6 ttmm -83.31 -37.56 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.431 -0.35 . . . . 72.33 110.691 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -59.79 -42.11 92.68 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 121.205 -0.198 . . . . 73.31 111.186 -177.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.506 HG13 ' HE2' ' A' ' 57' ' ' PHE . 34.2 mm -59.92 -41.48 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 70.22 109.945 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 13.1 tmtt? -69.15 -44.8 71.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.222 -0.899 . . . . 64.14 110.662 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.818 HD23 ' HG2' ' A' ' 93' ' ' LYS . 4.4 pp -77.44 -33.21 54.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 73.14 112.007 -176.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 103' ' ' GLN . 38.3 mttp -68.71 -35.3 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.963 -0.295 . . . . 74.22 111.098 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.22 -23.26 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.361 . . . . 71.13 110.667 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 27.4 mm-40 -83.05 -19.24 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 75.45 110.605 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.44 63.88 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.575 -0.821 . . . . 41.32 113.107 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -144.34 162.24 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.207 -0.294 . . . . 73.42 110.207 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.528 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 63.7 tt0 -129.37 -45.93 1.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.221 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HH2' ' A' ' 25' ' ' TRP . 10.0 mp 72.76 158.58 0.16 Allowed Pre-proline 0 N--CA 1.47 0.553 0 O-C-N 123.764 0.665 . . . . 74.43 112.008 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.0 -163.69 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.999 2.466 . . . . 65.42 111.764 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 p -85.75 8.59 19.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.487 0.661 . . . . 73.11 111.195 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.61 114.32 11.9 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.007 -0.997 . . . . 65.12 110.523 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.93 155.79 75.08 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.503 -0.317 . . . . 75.04 110.927 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.07 153.8 30.77 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.982 2.454 . . . . 74.15 113.185 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 31.7 Cg_endo -63.25 -20.25 70.26 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.261 2.641 . . . . 65.13 112.851 -177.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.5 -29.47 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 75.22 110.672 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.8 mtp -79.14 -36.93 39.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.883 -0.327 . . . . 62.0 110.648 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 20.3 ptmt -82.98 -7.28 59.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 75.51 110.121 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 . . . . . 0 C--O 1.234 0.241 0 CA-C-N 114.97 -1.013 . . . . 72.32 112.392 174.059 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 75.42 110.274 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' HH2' HD23 ' A' ' 104' ' ' LEU . 42.3 m95 -78.87 -2.38 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 73.32 111.201 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.7 164.24 11.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.946 -0.57 . . . . 75.43 110.1 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.7 mt -91.37 90.53 3.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 74.5 110.24 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -70.23 162.33 28.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.517 -0.765 . . . . 71.12 110.324 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.56 -35.83 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 71.14 110.475 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.99 -44.81 95.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 72.41 110.033 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 92' ' ' MET . 16.5 mm-40 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 75.45 110.562 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 54.3 ttt-85 -65.43 -51.47 60.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 73.24 110.356 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.63 90.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 71.14 110.531 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.83 -51.92 66.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.903 -0.589 . . . . 63.44 111.927 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 9.8 p80 -61.99 -31.81 72.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.519 -0.472 . . . . 74.41 110.999 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.97 -44.35 73.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 74.44 110.269 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.3 -40.23 95.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.051 -0.522 . . . . 62.13 110.297 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.8 -46.57 88.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 71.22 109.648 177.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 4.8 t80 -60.43 -41.51 94.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.89 -1.05 . . . . 74.34 110.191 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -60.25 -40.28 89.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.435 -0.802 . . . . 75.54 110.583 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 m -75.3 -18.31 60.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.848 -0.615 . . . . 75.12 111.855 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 57' ' ' PHE . 74.1 mt -77.98 -12.6 60.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.67 -0.241 . . . . 65.35 110.782 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 13.0 mptt 66.15 80.99 0.22 Allowed Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 74.32 110.608 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 19.4 Cg_endo -59.34 149.08 83.43 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.946 2.431 . . . . 73.13 111.618 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 48' ' ' PHE . 11.3 tp -81.57 -32.59 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.044 0.449 . . . . 72.5 111.077 -175.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -163.75 45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.631 0.729 . . . . 72.2 109.171 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.04 -16.47 60.84 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.413 -0.812 . . . . 62.21 111.692 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.6 p90 -135.15 163.44 29.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.706 -0.479 . . . . 73.11 109.706 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.534 HG23 ' CZ ' ' A' ' 39' ' ' PHE . 41.8 pt -99.59 -164.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.727 -0.842 . . . . 52.24 108.727 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 12.2 t -147.96 177.32 9.45 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 120.459 -0.496 . . . . 60.12 110.036 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -55.0 -47.89 70.36 Favored Glycine 0 C--O 1.228 -0.25 0 O-C-N 123.352 0.408 . . . . 34.44 113.801 -173.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.56 -40.47 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.273 0.559 . . . . 74.32 110.517 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.6 -31.53 68.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 53.11 110.555 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.52 -47.33 79.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 72.24 110.113 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 94.9 mtt180 -59.56 -40.75 88.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.607 -0.724 . . . . 61.52 110.373 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -54.03 -50.74 66.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.572 -0.74 . . . . 73.32 111.063 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.572 ' HD2' HD21 ' A' ' 42' ' ' LEU . 59.4 t80 -57.39 -48.83 78.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.618 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.628 ' HB3' HD22 ' A' ' 68' ' ' LEU . 17.6 m-30 -61.57 -48.55 80.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 75.44 110.698 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -61.38 -41.05 96.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.981 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -69.37 -9.66 54.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.367 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -84.22 -16.48 43.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.421 -0.354 . . . . 62.34 111.053 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.18 38.21 6.85 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.623 -0.798 . . . . 41.03 113.216 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 71.4 mt -113.88 147.87 38.65 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.713 -0.286 . . . . 75.21 110.433 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 26.4 Cg_exo -63.96 158.9 44.9 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.855 2.37 . . . . 64.23 112.61 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.3 mt-30 -54.19 -53.09 62.82 Favored Pre-proline 0 N--CA 1.467 0.41 0 N-CA-C 112.997 0.74 . . . . 72.22 112.997 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -59.35 -21.58 61.45 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.211 1.941 . . . . 70.11 112.209 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 62.3 t -85.7 -44.59 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.052 -0.522 . . . . 73.41 109.928 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 58' ' ' PHE . 82.3 mt -56.02 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.43 0.633 . . . . 70.53 110.682 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.02 -0.991 . . . . 55.43 110.474 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' VAL . 23.1 tp60 -67.08 -45.21 77.97 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.645 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 95' ' ' ILE . 2.5 mp -69.95 -37.81 73.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.259 -0.577 . . . . 54.22 110.438 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -62.78 -46.84 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.963 -0.295 . . . . 75.24 110.27 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.62 67.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 70.42 110.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' A' ' 106' ' ' SER . 19.9 mt -80.18 -39.05 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 72.35 111.957 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -70.63 -71.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.622 0.601 . . . . 63.52 112.622 -168.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.773 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 4.0 p-10 -75.29 92.82 2.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 122.163 0.982 . . . . 73.12 109.524 178.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.4 mtm -62.29 -29.39 70.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.325 -1.307 . . . . 72.53 110.777 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 80' ' ' ASP . 1.5 p30 -83.23 -13.67 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 64.32 109.942 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.773 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 t-20 44.9 76.69 0.08 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.985 -1.007 . . . . 72.43 111.405 -175.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.531 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 9.3 p-10 -96.95 -36.66 10.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 61.14 110.529 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.51 6.5 38.36 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.694 -0.765 . . . . 73.4 112.676 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -121.34 -32.19 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.636 -0.505 . . . . 75.22 109.636 172.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.7 ttm 71.62 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.946 -1.025 . . . . 63.25 110.536 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.453 ' OD2' HG12 ' A' ' 86' ' ' VAL . 26.2 t70 -67.26 168.68 10.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.487 -0.779 . . . . 75.45 109.934 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.62 -33.89 75.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.334 -0.393 . . . . 64.13 110.593 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' OD2' ' A' ' 84' ' ' ASP . 9.2 p -69.55 -39.43 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.826 0.346 . . . . 52.42 110.282 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 4.2 mm-40 -68.71 -39.51 80.42 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.604 0.716 . . . . 72.3 109.341 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.2 -31.49 72.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.837 . . . . 75.35 111.081 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 m -59.83 -31.61 69.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 64.24 111.891 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' GLU . 17.3 tt -86.7 -26.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 34.53 110.767 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.58 -34.08 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 51.4 111.699 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.12 -23.25 67.35 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.509 0.559 . . . . 74.11 112.509 -173.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -100.4 -28.85 12.72 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.774 -0.37 . . . . 72.44 110.793 177.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.57 -38.57 84.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 64.31 111.75 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG12 HG21 ' A' ' 71' ' ' ILE . 15.7 mm -61.1 -49.45 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.37 . . . . 41.32 110.677 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 99' ' ' LEU . 56.6 mmtt -66.95 -35.1 79.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.264 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 17.4 tp -59.72 -40.55 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.7 -0.682 . . . . 64.14 110.327 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -67.37 -38.76 85.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.564 -0.744 . . . . 64.21 110.064 178.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 96' ' ' LYS . 74.0 mt -68.31 -29.95 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 64.1 111.226 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 14.0 mm100 -74.5 -13.35 60.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 70.01 110.952 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.51 40.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.884 -0.675 . . . . 71.42 113.185 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 86.8 m-85 -87.85 158.65 18.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.136 0.494 . . . . 74.01 110.421 178.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -87.24 138.4 31.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.76 -0.655 . . . . 43.34 110.626 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 ' HH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -168.32 88.4 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 74.11 109.997 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.54 -162.98 0.19 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 123.697 2.931 . . . . 71.15 112.702 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.72 ' HA ' HD21 ' A' ' 74' ' ' LEU . 2.8 p -69.96 -1.4 9.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.633 -0.712 . . . . 72.05 111.804 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.75 105.01 17.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.522 -0.763 . . . . 73.22 110.91 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 74' ' ' LEU . 21.7 mt -72.32 143.51 85.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.458 -0.337 . . . . 75.23 110.398 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 5.6 Cg_exo -75.15 153.51 41.15 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.921 2.414 . . . . 73.4 111.989 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -40.36 62.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.937 2.425 . . . . 72.34 112.658 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.1 -21.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 53.3 111.288 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.585 ' SD ' ' HD2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -89.59 -40.01 12.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.694 -0.685 . . . . 71.23 111.81 -178.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -46.04 18.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 73.0 111.433 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 N--CA 1.465 0.277 0 O-C-N 123.224 0.327 . . . . 64.43 111.075 178.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 120.662 0.267 . . . . 74.31 111.285 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -94.19 -20.68 19.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.972 0.415 . . . . 73.53 111.083 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.44 143.08 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.96 -0.564 . . . . 74.01 110.808 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -103.45 88.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 29' ' ' VAL . 1.8 m -75.63 176.5 7.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.017 -0.992 . . . . 74.43 110.128 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' THR . 57.7 t -54.65 -37.13 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.802 0.334 . . . . 54.14 111.073 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -64.4 -41.51 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 65.13 111.222 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 8.6 mm-40 -73.62 -30.73 63.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 74.31 110.485 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -67.36 -52.29 41.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.081 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -20.01 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 61.15 111.067 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 9.5 tptm -56.29 -39.29 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.825 . . . . 64.31 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -57.8 -27.83 63.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.888 -0.597 . . . . 74.34 111.939 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.77 -55.51 25.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.47 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -68.16 -42.91 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 71.12 110.408 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 92' ' ' MET . 84.6 mm-40 -58.44 -51.29 70.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 61.14 111.12 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.02 -36.18 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.072 -0.513 . . . . 75.52 110.853 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -71.02 -32.59 69.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.32 -0.4 . . . . 74.5 110.98 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -77.16 -19.38 56.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.467 -0.333 . . . . 73.2 110.682 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -71.05 -10.11 59.19 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.001 -0.545 . . . . 53.01 110.367 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 57.41 80.84 0.27 Allowed Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.15 111.945 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HB2' ' H ' ' A' ' 47' ' ' GLY . 43.2 Cg_endo -71.47 149.73 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.244 1.963 . . . . 74.24 111.447 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.46 -42.49 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.113 0.483 . . . . 74.12 110.439 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -155.66 14.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.371 0.605 . . . . 60.32 109.538 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 44' ' ' PRO . . . 126.17 -14.79 6.95 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.417 -0.81 . . . . 63.22 111.093 -171.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -117.24 159.76 22.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.912 -0.403 . . . . 54.22 109.912 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.629 ' HB ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 pp -131.75 -174.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.025 -0.534 . . . . 75.51 109.745 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.7 t -161.37 173.06 15.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.577 -0.449 . . . . 52.14 111.25 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.73 -45.16 96.83 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.027 -0.533 . . . . 72.33 113.671 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.73 -43.39 94.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 72.31 111.445 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' OE1' ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.94 -31.93 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.891 -0.323 . . . . 75.15 110.534 -179.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.4 90.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.878 0.371 . . . . 72.42 110.556 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -52.89 -43.78 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 62.31 111.354 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -70.73 -50.42 36.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.259 -0.428 . . . . 63.34 110.751 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -56.63 -49.15 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.802 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 68' ' ' LEU . 4.9 m-85 -59.01 -46.38 88.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 73.3 111.266 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.576 ' HA ' HD11 ' A' ' 68' ' ' LEU . 58.1 t80 -67.34 -31.02 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.065 0.459 . . . . 61.25 110.947 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.55 5.52 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.1 -0.5 . . . . 75.35 112.29 -178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 99' ' ' LEU . 87.5 p -83.26 -31.02 27.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 74.31 110.01 175.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.81 9.95 15.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.847 -0.692 . . . . 61.44 112.483 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HB2' HD21 ' A' ' 68' ' ' LEU . 78.8 mt -99.88 144.45 28.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.299 -0.26 . . . . 64.22 110.299 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 23.6 Cg_exo -66.24 152.84 80.13 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.919 2.413 . . . . 75.44 112.121 175.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 26.5 mt-30 -55.65 -47.65 98.22 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 113.293 0.849 . . . . 71.21 113.293 -176.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.2 Cg_exo -54.99 -36.41 92.41 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.809 1.673 . . . . 72.24 112.008 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 57.5 t -73.78 -37.97 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 63.34 110.361 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 58' ' ' PHE . 95.5 mt -64.55 -46.13 84.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.56 -0.745 . . . . 44.43 111.024 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.85 64.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.203 -0.908 . . . . 55.51 111.043 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.77 -38.07 85.83 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.985 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 95' ' ' ILE . 90.9 mt -67.83 -43.72 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 74.33 110.16 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -67.15 -45.34 77.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 75.22 110.893 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.57 64.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.11 0.481 . . . . 62.45 110.62 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.919 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.7 mt -91.52 -27.3 18.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.526 -0.761 . . . . 74.32 111.823 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.132 -0.485 . . . . 62.22 111.181 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 1.8 p-10 -83.13 96.09 8.29 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.795 -0.817 . . . . 65.41 108.795 171.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.1 mtm -59.21 -30.8 68.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.58 -1.191 . . . . 65.33 112.039 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.42 -12.19 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.404 0.621 . . . . 72.31 109.606 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.567 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 52.2 71.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.68 -1.146 . . . . 73.22 111.593 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -87.59 -16.33 34.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.269 -0.878 . . . . 54.42 109.453 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.71 34.59 48.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.704 -0.76 . . . . 62.33 112.308 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 82' ' ' ARG . 22.8 mtt180 -140.13 -21.99 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.851 0.315 . . . . 65.42 111.851 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 ptp 45.79 -164.74 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.102 0.876 . . . . 74.32 111.593 -168.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 16.9 t70 -176.76 179.78 1.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.675 -1.232 . . . . 60.11 107.675 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.479 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.28 -24.57 61.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.773 -0.454 . . . . 61.32 109.773 178.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.35 -52.92 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 63.42 109.891 175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 90' ' ' ILE . 16.3 mp0 -68.01 -34.64 76.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.341 -0.391 . . . . 45.15 111.082 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.44 -28.26 69.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.74 -0.209 . . . . 70.04 111.0 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -62.63 -26.46 68.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 52.3 110.786 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.1 tt -98.03 -24.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 75.15 110.32 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.25 -33.38 56.04 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.935 -0.575 . . . . 44.23 111.556 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.442 ' SD ' ' HG3' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.07 -28.73 69.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.946 0.403 . . . . 73.54 110.937 -178.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD3' ' CE ' ' A' ' 112' ' ' MET . 53.2 tttp -71.58 -29.65 64.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.545 . . . . 61.15 109.768 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -26.17 53.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.067 -0.515 . . . . 53.34 111.125 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 71' ' ' ILE . 29.0 mm -61.98 -52.07 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.294 -0.632 . . . . 73.42 109.294 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -64.75 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 74.23 110.976 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.736 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.3 tp -59.92 -47.19 86.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 74.2 111.07 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.623 ' HD2' HD11 ' A' ' 71' ' ' ILE . 53.0 mttm -73.49 -33.53 64.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 71.44 111.407 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' SER . 79.7 mt -67.3 -30.84 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 74.42 110.502 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -74.07 -25.82 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.307 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.69 23.17 2.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.453 -0.88 . . . . 71.13 113.825 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.736 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 73.8 m-85 -102.63 149.53 24.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.691 0.757 . . . . 63.3 111.208 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -140.9 93.77 2.64 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.724 -1.126 . . . . 62.44 110.269 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 148.11 35.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.398 -0.819 . . . . 54.01 109.693 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 74' ' ' LEU . 91.7 Cg_endo -78.44 -162.19 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.52 2.813 . . . . 70.43 112.791 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.528 ' HA ' HD21 ' A' ' 74' ' ' LEU . 32.5 p -71.79 9.56 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 41.25 111.999 -175.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.06 94.97 6.04 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.547 -0.751 . . . . 75.33 111.429 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.919 ' HG ' HD22 ' A' ' 74' ' ' LEU . 13.5 mt -73.0 143.63 84.24 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.8 -0.445 . . . . 64.32 109.8 172.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 11.9 Cg_exo -71.95 152.26 57.3 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.252 1.968 . . . . 73.32 112.081 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_exo -67.76 -22.59 43.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.928 2.419 . . . . 72.31 112.468 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.62 -29.89 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 60.24 111.28 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 93' ' ' LYS . 79.3 mtp -81.68 -41.3 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 73.1 110.89 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.68 -27.11 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.118 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 . . . . . 0 C--O 1.236 0.364 0 CA-C-N 115.914 -0.584 . . . . 74.31 109.62 -171.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.706 0.289 . . . . 64.13 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.401 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 98.4 m95 -78.68 -25.63 44.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.39 . . . . 72.34 111.125 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.33 143.66 52.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 65.21 111.083 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -96.12 95.37 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 71.43 110.051 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -74.43 164.04 27.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.241 -0.89 . . . . 73.33 110.06 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.67 -33.81 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.964 0.411 . . . . 72.12 111.032 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.87 -46.22 91.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 72.44 110.62 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.97 -38.49 91.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.179 0.514 . . . . 74.0 110.07 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 25.1 ttp85 -67.88 -47.91 67.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.751 -0.659 . . . . 63.44 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.13 80.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 72.43 111.003 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' SD ' ' A' ' 92' ' ' MET . 13.3 tttt -62.15 -26.73 68.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 74.24 110.813 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 10.5 m-70 -58.26 -47.33 83.92 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.869 0.366 . . . . 74.11 110.279 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.78 -42.24 88.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 70.51 111.206 -172.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -61.65 -46.91 87.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.153 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.2 mt-30 -75.78 -38.64 58.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.365 . . . . 63.24 110.484 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.502 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 11.8 t80 -61.11 -41.98 97.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 53.02 110.076 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -55.31 -42.43 73.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.774 . . . . 73.33 110.347 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -75.59 -19.0 59.55 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.441 -0.8 . . . . 75.11 111.669 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.564 HD21 ' HD1' ' A' ' 57' ' ' PHE . 85.9 mt -76.19 -12.93 60.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.785 0.291 . . . . 72.42 111.785 -176.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.761 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 66.23 68.24 0.64 Allowed Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.616 0.572 . . . . 75.53 110.448 -174.58 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 43.7 Cg_endo -70.6 158.9 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.361 2.04 . . . . 73.34 112.039 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.9 mp -101.22 106.11 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.688 -0.856 . . . . 72.41 108.688 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t 65.93 -74.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.822 0.702 . . . . 64.14 110.447 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.71 27.66 0.24 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.67 -0.572 . . . . 45.05 111.67 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -146.01 165.99 27.41 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.919 0.39 . . . . 74.04 111.126 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.9 pt -143.7 -176.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.673 -0.694 . . . . 61.3 109.825 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -143.91 -179.36 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.252 -0.647 . . . . 71.12 109.252 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.98 62.04 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.565 -0.35 . . . . 52.22 113.575 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.64 -42.81 97.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 74.3 110.813 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.8 -42.32 41.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.699 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.91 86.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 63.12 111.943 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.754 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 14.6 ptm180 -60.9 -36.72 80.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 73.31 111.282 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.57 -33.05 75.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.53 -0.305 . . . . 75.22 111.002 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.564 ' HD1' HD21 ' A' ' 42' ' ' LEU . 68.7 t80 -60.16 -58.28 9.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 65.44 111.19 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.754 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 11.7 p90 -77.26 -22.5 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.169 -0.612 . . . . 65.22 111.37 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.5 -31.91 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 72.04 110.382 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -67.14 -9.55 41.04 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.742 -0.663 . . . . 61.05 111.964 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB2' HD21 ' A' ' 99' ' ' LEU . 90.0 p -70.35 -40.94 73.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 71.22 110.949 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.42 11.33 29.44 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.673 -0.775 . . . . 71.04 111.709 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.19 157.38 65.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.274 -0.269 . . . . 74.11 110.274 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.6 Cg_exo -67.22 152.76 79.02 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.703 2.269 . . . . 70.14 112.182 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 48.7 mt-30 -54.37 -45.7 99.23 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 112.974 0.731 . . . . 65.12 112.974 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 75.3 Cg_exo -52.62 -41.7 66.97 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.018 1.812 . . . . 73.42 112.47 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.18 -39.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 88.3 mt -58.38 -48.56 80.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.626 -0.715 . . . . 73.45 110.687 176.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.81 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.201 -0.909 . . . . 73.35 110.874 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.41 -41.16 73.31 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.302 -0.408 . . . . 61.03 110.871 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -54.74 -46.43 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.956 0.408 . . . . 74.24 110.079 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.825 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.7 t90 -66.14 -43.7 86.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.623 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.83 94.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.121 0.415 . . . . 40.41 112.121 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.848 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.3 mp -77.94 -34.33 51.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 72.42 111.325 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.34 -42.92 43.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 74.31 112.188 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.698 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 26.9 t0 -76.1 76.59 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.075 -0.713 . . . . 70.01 109.075 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.0 mtm -63.57 -30.56 71.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.121 -0.945 . . . . 72.23 111.495 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -84.99 -11.66 54.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.946 0.403 . . . . 75.32 110.01 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.97 49.77 13.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.543 -0.753 . . . . 74.13 109.096 -177.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 36.7 t70 -78.09 -34.99 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.458 -0.792 . . . . 74.32 109.943 -176.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.825 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.99 2.57 71.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.611 -0.804 . . . . 61.22 111.709 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 52.1 mtp85 -117.63 -26.18 6.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.227 -0.486 . . . . 64.04 110.838 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.1 ttm 62.51 91.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.205 0.941 . . . . 74.11 110.163 -173.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.93 165.85 24.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.388 -0.597 . . . . 73.32 109.388 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 37.3 mm-40 -52.26 -25.99 10.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.39 0.515 . . . . 71.43 112.39 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.14 -50.45 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 73.51 110.311 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.698 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.3 mp0 -67.18 -36.82 82.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.055 0.455 . . . . 70.44 110.237 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 90.9 t80 -60.8 -33.51 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 64.22 110.391 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 t -59.1 -42.22 89.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.676 -0.693 . . . . 65.44 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 tt -89.36 -28.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.998 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.53 84.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.981 0.42 . . . . 74.2 111.107 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.504 ' SD ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 ttp -64.54 -29.75 70.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 73.12 110.53 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -85.79 -30.51 22.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.495 -0.775 . . . . 54.13 110.609 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.03 -39.71 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.117 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.1 mt -54.94 -43.82 70.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 73.23 111.217 -176.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -56.7 -45.91 81.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 62.22 110.97 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 3.8 mm? -80.25 -33.52 37.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.097 -0.501 . . . . 63.21 111.024 -177.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -63.16 -39.47 94.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.727 -0.215 . . . . 74.55 110.924 178.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 61' ' ' SER . 71.9 mt -65.12 -28.07 69.18 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.474 0.484 . . . . 53.34 110.959 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -79.33 -26.18 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 75.52 110.352 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.66 43.39 2.5 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.42 114.097 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CE1' ' HE2' ' A' ' 98' ' ' LYS . 4.1 p90 -86.3 169.46 12.95 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 117.488 0.644 . . . . 73.21 110.001 173.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -140.64 136.89 33.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.376 -0.829 . . . . 61.04 110.293 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HG ' ' HD2' ' A' ' 105' ' ' PRO . 20.0 tp -165.78 146.93 5.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.695 -0.854 . . . . 74.21 108.695 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HG ' ' A' ' 104' ' ' LEU . 33.5 Cg_exo -59.0 171.6 2.08 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 71.52 112.892 176.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.848 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 16.1 m -67.2 -17.25 64.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.596 -0.729 . . . . 74.51 110.94 -175.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.26 105.16 17.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.02 -0.536 . . . . 70.31 110.425 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.76 157.77 48.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.698 -0.683 . . . . 71.2 110.345 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 34.9 Cg_exo -58.77 152.52 56.25 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.571 2.181 . . . . 73.14 112.667 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.7 Cg_exo -69.73 -11.48 30.98 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.072 2.515 . . . . 73.31 112.654 -177.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.75 -32.99 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.129 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 112' ' ' MET . 71.0 mtp -82.88 -21.65 34.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 74.54 111.531 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -107.22 -24.8 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 73.14 110.699 -176.165 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.554 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 32.4 mm-40 . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.865 -0.607 . . . . 74.14 111.907 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.333 0.587 . . . . 71.04 109.72 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.563 ' O ' ' HG2' ' A' ' 112' ' ' MET . 92.3 m95 -83.87 -25.66 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.53 109.981 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 147.45 46.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.676 -0.693 . . . . 40.33 111.006 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mt -105.7 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.129 0.49 . . . . 71.11 110.41 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.98 -178.74 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.636 -0.711 . . . . 61.05 109.421 175.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 28' ' ' THR . 43.7 t -59.13 -44.01 90.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.327 . . . . 75.2 110.498 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.52 -41.9 98.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.516 . . . . 65.12 110.935 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.83 -32.85 72.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.015 0.436 . . . . 72.1 110.483 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -65.64 -50.36 65.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.205 -0.452 . . . . 65.21 109.928 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -24.36 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.648 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -56.63 -27.08 57.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.612 -0.722 . . . . 75.34 111.646 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -61.23 -34.22 74.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.857 0.36 . . . . 73.13 111.052 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.23 -50.09 75.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.696 -0.684 . . . . 73.44 111.604 -175.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -60.06 -39.24 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.538 . . . . 53.31 111.325 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -76.35 -40.9 50.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.814 0.34 . . . . 72.44 110.651 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' A' ' 49' ' ' ILE . 28.7 t80 -64.81 -38.91 92.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 72.13 110.413 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -59.55 -40.2 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 74.41 110.839 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 m -76.44 -18.15 58.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.551 0.574 . . . . 62.03 112.551 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -73.25 -12.46 60.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.33 110.772 -176.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 62.84 65.98 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.686 -0.688 . . . . 54.53 111.442 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.95 129.57 16.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.135 1.89 . . . . 74.35 111.121 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.3 mp -72.72 -72.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.795 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 14.8 m -102.62 32.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 72.01 110.845 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 7.56 61.95 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.884 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 37.5 p90 -149.46 169.45 20.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.911 -0.403 . . . . 73.03 109.911 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.96 -179.39 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 72.25 110.087 178.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -138.82 173.47 11.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.446 -0.343 . . . . 71.13 110.574 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.19 -35.22 64.2 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 123.272 0.358 . . . . 74.04 112.846 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.26 -48.66 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 73.14 110.788 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -38.94 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 73.2 110.509 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.66 37.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.742 -0.663 . . . . 71.42 110.593 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 55' ' ' ARG . 67.6 mtt-85 -58.7 -43.28 90.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 64.35 111.354 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.77 -43.16 94.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.303 -0.408 . . . . 72.43 110.479 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.34 -48.74 66.63 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.946 -0.57 . . . . 73.24 110.173 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 1.017 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.3 m-30 -53.04 -53.69 46.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.963 -0.562 . . . . 74.04 110.96 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -64.12 -39.95 95.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.651 -0.704 . . . . 54.03 111.146 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -20.18 65.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.014 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.82 ' HB3' HD11 ' A' ' 99' ' ' LEU . 49.5 m -76.1 -12.73 60.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 53.01 111.03 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.62 36.14 5.18 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.684 -0.77 . . . . 64.31 112.964 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.5 143.77 47.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.808 -0.441 . . . . 74.05 109.808 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.618 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 Cg_exo -77.45 158.09 32.7 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.274 2.65 . . . . 62.2 112.333 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.51 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 53.0 mt-30 -53.26 -47.52 95.71 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 113.807 1.04 . . . . 65.42 113.807 -176.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.14 -19.15 40.09 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.089 1.859 . . . . 64.21 112.481 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.22 -31.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.988 -0.551 . . . . 64.22 109.987 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.017 HD22 ' HB3' ' A' ' 58' ' ' PHE . 44.9 mt -68.61 -49.42 59.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 74.3 110.309 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.74 67.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.163 -0.926 . . . . 73.01 110.602 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -44.15 92.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.469 -0.567 . . . . 73.23 109.469 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.754 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.1 mt -66.04 -48.47 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.504 . . . . 51.42 109.688 175.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.644 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 14.7 t90 -60.4 -45.69 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.923 -1.035 . . . . 62.22 111.73 -174.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.05 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 63.15 110.84 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 104' ' ' LEU . 15.6 mt -81.26 -30.9 33.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 75.32 112.018 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.2 -71.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.793 -170.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 9.0 p-10 -85.15 95.75 9.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.853 0.835 . . . . 72.4 108.774 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.9 mtm -51.62 -32.0 27.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.081 -1.418 . . . . 73.35 112.834 -175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.36 -13.27 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 71.44 110.823 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.66 67.98 0.9 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.486 -0.779 . . . . 73.31 109.555 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -101.25 -29.01 12.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.105 -0.952 . . . . 54.04 109.746 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.644 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 84.86 19.87 58.84 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.561 -0.745 . . . . 63.42 112.511 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -122.56 -31.84 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.898 -0.178 . . . . 74.13 110.605 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.5 ptp 44.87 106.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.605 1.191 . . . . 72.43 113.361 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.1 171.6 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.468 -0.787 . . . . 74.13 109.369 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.92 -28.02 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.255 0.222 . . . . 74.1 110.665 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.47 -56.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 54.02 109.83 174.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.648 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 18.6 mp0 -62.65 -37.45 86.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 73.04 111.249 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.15 -28.97 68.56 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.173 -0.329 . . . . 75.44 110.702 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' HE3' ' A' ' 92' ' ' MET . 33.6 t -65.24 -23.11 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 73.52 110.925 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 108' ' ' LEU . 14.0 tt -105.4 -25.8 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.039 0.447 . . . . 54.14 110.562 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -69.2 -36.32 77.16 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.308 0.484 . . . . 53.31 112.308 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE3' ' O ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -66.77 -24.84 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.61 -0.268 . . . . 74.32 111.362 -176.118 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -69.99 -36.63 75.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.659 0.266 . . . . 73.24 110.343 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.1 tp -64.32 -39.42 93.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 72.53 110.527 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.441 HD11 ' HE1' ' A' ' 58' ' ' PHE . 37.9 mt -62.26 -46.61 96.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 64.04 109.741 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -58.27 -46.76 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.991 -1.004 . . . . 72.14 110.379 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.78 -38.51 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.835 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.536 ' HD2' HD11 ' A' ' 71' ' ' ILE . 40.3 mttm -66.85 -41.77 86.8 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.708 0.262 . . . . 74.24 111.708 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 61' ' ' SER . 64.4 mt -70.87 -20.49 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.069 0.461 . . . . 74.01 110.47 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -75.33 -26.75 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 64.12 110.08 172.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.75 19.58 6.86 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.898 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.51 168.57 10.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.459 0.647 . . . . 72.51 111.542 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -147.08 149.02 32.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.175 -0.92 . . . . 74.42 109.791 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 109' ' ' PRO . 19.3 tp -143.01 146.11 35.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.594 -0.891 . . . . 71.15 108.594 -178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.539 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.2 Cg_endo -85.08 -168.05 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.017 1.811 . . . . 74.31 112.248 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 p -73.89 -4.65 36.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.327 0.584 . . . . 61.32 111.076 -177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.66 99.82 12.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.381 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HD2' ' A' ' 109' ' ' PRO . 3.5 tt -71.08 139.16 84.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.862 -1.162 . . . . 64.13 107.862 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.83 ' HD3' HD21 ' A' ' 104' ' ' LEU . 17.2 Cg_exo -69.91 150.22 66.98 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 121.596 1.53 . . . . 65.15 112.443 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.43 -7.14 16.8 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.676 2.251 . . . . 75.45 111.714 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.57 -22.56 8.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 61.43 110.041 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 65.6 mtp -92.56 -46.67 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 64.11 110.468 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -79.16 -18.93 52.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 73.41 110.316 177.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 47.4 mt-30 . . . . . 0 C--O 1.234 0.261 0 CA-C-N 115.472 -0.785 . . . . 74.54 112.014 173.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.527 0.203 . . . . 70.23 110.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.84 59.42 0.91 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.542 -0.837 . . . . 71.24 113.493 172.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 m80 67.06 156.48 0.11 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.866 0.841 . . . . 62.11 113.086 174.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -174.32 154.91 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.63 -1.168 . . . . 62.12 108.427 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -157.17 117.74 3.56 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.878 -0.329 . . . . 73.52 111.044 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -138.18 92.22 2.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.157 -0.474 . . . . 53.31 110.592 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -82.41 80.37 8.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.451 -0.574 . . . . 71.01 109.451 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -92.07 110.77 22.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.649 -0.705 . . . . 71.53 110.124 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -107.03 97.84 7.57 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.773 -0.649 . . . . 70.31 109.94 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -134.48 121.62 21.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.139 -0.482 . . . . 72.52 109.953 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.6 ptp -159.18 140.99 13.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.595 -0.729 . . . . 75.42 109.779 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 -75.6 0.27 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.38 -0.6 . . . . 64.45 109.38 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 77.8 mt-30 -144.74 155.56 43.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.395 -0.965 . . . . 74.42 108.395 171.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 87.4 t80 -101.93 104.33 35.07 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.47 -0.492 . . . . 70.43 110.226 173.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.621 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 1.3 Cg_endo -85.57 138.75 6.41 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.152 2.568 . . . . 62.15 111.346 175.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -88.3 102.02 3.31 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.644 0.259 . . . . 62.41 110.649 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.621 ' HD3' ' O ' ' A' ' 15' ' ' PRO . 72.0 Cg_endo -91.48 -22.04 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.628 2.219 . . . . 63.12 113.535 -175.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 56.44 37.1 28.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.12 0.486 . . . . 73.15 110.716 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.64 40.98 0.95 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.624 -0.716 . . . . 71.34 111.978 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.35 53.64 3.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.118 -0.563 . . . . 73.23 112.191 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.3 m -126.73 7.17 6.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.215 0.531 . . . . 43.04 110.463 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 tp -102.17 -18.51 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.673 0.749 . . . . 70.14 109.545 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -114.28 36.49 3.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.889 -1.05 . . . . 64.3 110.502 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.6 m -50.61 -52.58 38.05 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.467 0.543 . . . . 70.5 112.467 -175.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -115.64 22.95 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.364 0.602 . . . . 71.24 112.028 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.83 150.91 50.13 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.42 -0.809 . . . . 61.14 110.494 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.6 ' HB ' ' NE2' ' A' ' 114' ' ' GLN . 73.7 mt -92.55 109.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.329 0.585 . . . . 52.3 110.215 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.562 ' OG1' ' HG2' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -77.01 166.89 22.71 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.201 -0.909 . . . . 71.44 110.888 178.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.69 -24.73 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 72.42 109.748 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HB3' ' HE1' ' A' ' 14' ' ' PHE . 3.1 mp0 -64.24 -47.43 79.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.467 -0.788 . . . . 61.31 110.356 172.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.562 ' HG2' ' OG1' ' A' ' 28' ' ' THR . 6.6 mm-40 -63.34 -36.33 83.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.418 0.628 . . . . 71.41 109.642 177.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -57.56 -42.31 82.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.192 -0.913 . . . . 75.5 110.209 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.6 -39.83 57.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.042 -0.527 . . . . 63.12 111.013 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.58 ' HE2' ' CZ ' ' A' ' 14' ' ' PHE . 42.6 mmtt -58.74 -33.72 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.881 0.697 . . . . 71.42 112.881 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -27.45 67.82 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 120.675 -0.41 . . . . 73.04 111.693 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -75.06 -42.99 55.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.229 -0.442 . . . . 73.01 110.95 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -66.85 -41.09 87.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.376 . . . . 71.24 110.518 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 65.0 mm-40 -69.41 -36.82 77.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.765 -0.457 . . . . 70.32 109.765 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.822 ' HA ' HD12 ' A' ' 42' ' ' LEU . 52.5 t80 -61.76 -37.19 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.793 -0.64 . . . . 73.12 110.113 176.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.43 -41.98 86.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.664 . . . . 74.24 109.927 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 m -76.23 -17.05 59.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.454 -0.794 . . . . 51.04 112.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.857 HD13 HD13 ' A' ' 49' ' ' ILE . 53.4 mt -69.6 -4.4 19.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.102 0.408 . . . . 51.01 112.102 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 mttt 59.27 61.49 4.4 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.674 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 33.3 Cg_exo -57.54 139.55 90.52 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.192 1.928 . . . . 73.44 111.986 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.6 mp -71.14 -57.98 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.142 -0.481 . . . . 63.01 110.303 -177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.46 ' HB2' ' HE1' ' A' ' 48' ' ' PHE . 19.3 m -141.27 51.19 1.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.966 -0.561 . . . . 64.02 110.335 178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.08 3.8 72.62 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.872 -0.68 . . . . 64.24 111.726 -177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 46' ' ' SER . 44.2 p90 -142.76 161.25 38.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.079 -0.341 . . . . 72.04 110.079 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.857 HD13 HD13 ' A' ' 42' ' ' LEU . 25.9 pt -115.55 -164.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.007 -0.542 . . . . 64.51 110.05 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 t -155.93 167.93 28.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.963 -0.562 . . . . 71.23 109.573 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.48 -23.19 62.33 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.479 -0.391 . . . . 62.23 112.809 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -73.15 -38.25 66.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 64.33 110.233 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.72 -34.04 62.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 65.32 110.113 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.22 -54.48 46.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.678 -0.692 . . . . 41.23 110.913 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.663 ' HA ' HD21 ' A' ' 68' ' ' LEU . 14.6 ptt180 -60.48 -35.3 75.57 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-N 116.189 -0.46 . . . . 72.0 110.645 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -64.3 -53.43 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.424 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.53 -54.05 51.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 75.02 111.817 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.73 ' HB2' HD23 ' A' ' 68' ' ' LEU . 10.5 m-85 -64.17 -38.55 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.325 -0.398 . . . . 74.22 110.975 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -64.2 -43.47 94.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 72.12 109.711 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -19.68 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.939 -1.028 . . . . 63.41 110.945 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.9 m -76.13 -5.54 47.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.099 -0.5 . . . . 43.11 111.208 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.51 32.89 5.83 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 32.54 112.917 175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 34.1 mt -110.52 144.17 29.66 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.528 0.204 . . . . 75.52 110.563 177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 28.3 Cg_exo -62.99 153.02 76.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.961 2.44 . . . . 52.35 112.169 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.551 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.5 tt0 -58.46 -47.23 99.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.036 -0.529 . . . . 71.23 112.286 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.3 Cg_endo -54.4 -41.34 77.54 Favored 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.026 1.817 . . . . 72.14 112.211 176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.09 -45.3 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.599 . . . . 44.4 110.358 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.73 HD23 ' HB2' ' A' ' 58' ' ' PHE . 2.3 tm? -57.56 -48.6 78.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.313 -0.858 . . . . 60.03 110.732 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.67 79.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.108 -0.497 . . . . 71.21 111.244 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -42.9 78.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.024 -0.535 . . . . 70.21 110.008 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.62 -42.97 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.125 -0.488 . . . . 73.44 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -64.56 -40.1 94.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.844 0.354 . . . . 72.31 110.549 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.84 62.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 70.31 111.425 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 94' ' ' LEU . 3.6 mt -94.54 -25.04 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.953 -0.567 . . . . 63.23 111.668 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.85 -71.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.369 0.507 . . . . 61.14 112.369 -173.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.643 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 5.0 p-10 -90.74 95.32 10.08 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.237 0.541 . . . . 75.32 109.84 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -49.19 -35.7 17.72 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.035 -0.984 . . . . 65.42 112.48 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -78.94 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.841 0.353 . . . . 75.41 110.692 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.643 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.4 t-20 50.44 71.67 0.4 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 73.34 109.811 -170.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.4 -19.03 28.67 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.971 -1.013 . . . . 61.12 109.743 -176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.43 -15.3 46.5 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.515 -0.766 . . . . 71.23 112.489 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.457 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -97.42 -40.61 8.61 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.66 -0.318 . . . . 71.43 110.828 178.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.7 ttm 60.73 93.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.259 0.974 . . . . 72.01 109.938 -171.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.4 t0 -74.27 166.57 23.23 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.489 -0.56 . . . . 74.22 109.489 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.61 -19.5 49.41 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.047 -0.524 . . . . 74.42 111.401 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -56.49 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 63.22 110.202 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 90' ' ' ILE . 2.6 mp0 -61.33 -42.62 98.98 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.946 0.403 . . . . 75.51 110.523 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CE1' HD11 ' A' ' 42' ' ' LEU . 70.7 t80 -60.83 -29.2 69.35 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.006 -0.278 . . . . 72.52 111.056 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.3 t -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 73.42 110.997 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 87' ' ' GLU . 16.2 tt -97.11 -25.2 4.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.092 0.473 . . . . 54.1 110.014 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.68 59.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 51.0 111.969 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 16.7 ptm -61.64 -30.36 70.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 65.11 111.333 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -72.25 -26.14 61.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.346 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 74' ' ' LEU . 1.4 mp -64.62 -44.36 90.79 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.623 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -58.3 -48.47 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.145 0.498 . . . . 54.22 109.722 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.613 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 87.3 tttt -63.08 -44.81 94.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.463 -0.789 . . . . 64.31 110.706 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.63 -43.56 89.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.471 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -71.96 -28.63 63.57 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.823 -0.351 . . . . 71.03 110.742 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.9 -8.33 55.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.338 . . . . 74.15 110.833 174.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 29.4 mm-40 -91.48 -1.4 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.919 0.39 . . . . 45.22 110.026 173.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.1 61.55 1.08 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.916 -0.659 . . . . 74.51 112.072 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -143.7 171.49 14.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.381 0.61 . . . . 74.12 111.65 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.95 164.0 38.51 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.674 -1.148 . . . . 71.45 108.246 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 104' ' ' LEU . 2.0 pt? -159.93 158.91 27.21 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 121.094 -0.243 . . . . 73.14 111.257 -177.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.455 ' O ' HD21 ' A' ' 74' ' ' LEU . 6.2 Cg_exo -75.41 -171.68 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.371 2.714 . . . . 75.3 112.485 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.5 p -83.24 5.17 23.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.351 0.596 . . . . 64.44 111.584 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.09 121.67 36.58 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.577 -0.738 . . . . 51.45 111.135 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.446 ' HB2' ' HD3' ' A' ' 113' ' ' LYS . 2.7 mm? -79.4 149.26 71.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.794 -0.447 . . . . 64.53 109.794 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 18.2 Cg_exo -66.63 151.58 82.44 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 121.94 1.76 . . . . 74.3 110.92 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.458 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 39.4 Cg_exo -62.71 -23.54 74.58 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.709 2.273 . . . . 63.45 113.02 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -30.33 42.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.304 0.573 . . . . 71.1 109.986 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.436 ' HG2' HG13 ' A' ' 90' ' ' ILE . 16.7 ttt -81.16 -25.55 36.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.339 -0.846 . . . . 75.1 109.504 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 109' ' ' PRO . 5.9 mmmm -76.2 -43.74 41.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.393 -0.821 . . . . 74.03 109.304 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.6 ' NE2' ' HB ' ' A' ' 27' ' ' ILE . 45.5 mt-30 74.05 -34.91 0.29 Allowed 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 114.417 -1.265 . . . . 41.24 111.421 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' A' ' 113' ' ' LYS . 62.6 tt0 -118.71 94.09 47.14 Favored Pre-proline 0 C--N 1.3 -1.567 0 CA-C-N 114.663 -1.153 . . . . 65.4 109.25 175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.4 136.1 30.49 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.762 2.308 . . . . 71.0 112.173 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.0 m -89.83 154.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 74.34 110.789 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.8 34.76 0.98 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 73.21 110.75 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.1 mt -97.64 82.38 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.262 0.553 . . . . 62.4 110.224 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.7 m -144.85 -49.26 0.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.838 -0.619 . . . . 60.1 109.773 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.237 -0.887 . . . . 63.33 109.865 174.198 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.147 -0.316 . . . . 72.25 110.147 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.03 39.6 2.62 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.944 -0.646 . . . . 34.33 112.174 -178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -88.57 99.28 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.037 0.446 . . . . 55.43 110.092 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -82.43 135.16 35.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.873 -0.603 . . . . 74.24 109.695 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.543 ' HE1' ' HA ' ' A' ' 84' ' ' ASP . 10.3 t60 -63.47 101.63 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.151 -0.314 . . . . 63.32 110.151 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -118.44 85.84 2.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.75 -0.463 . . . . 75.31 109.75 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -175.45 114.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.578 -0.737 . . . . 70.41 110.285 -175.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -66.52 122.04 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.425 -0.954 . . . . 65.43 108.425 172.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -63.99 159.42 20.06 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.999 0.74 . . . . 70.11 112.999 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -140.94 90.56 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.769 -1.105 . . . . 71.05 109.709 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.581 ' HG2' ' HB2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -155.02 120.48 5.02 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.272 0.558 . . . . 74.42 110.947 176.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.18 16.1 0.93 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.467 -0.788 . . . . 71.03 110.231 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -90.32 95.51 10.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.43 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 36.6 p90 -84.49 134.58 42.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 63.5 109.723 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 7.0 Cg_exo -72.23 136.4 26.67 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.418 2.079 . . . . 41.54 112.222 -178.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -81.69 112.03 31.0 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.923 -0.58 . . . . 61.11 110.088 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HG3' HG23 ' A' ' 29' ' ' VAL . 33.8 Cg_exo -58.5 139.75 91.92 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.419 2.746 . . . . 71.31 112.947 -175.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -121.94 110.63 16.08 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.131 -0.941 . . . . 54.32 110.077 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.04 163.9 45.77 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.818 -0.706 . . . . 74.24 111.746 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.41 -56.39 2.75 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.655 -0.783 . . . . 53.31 111.594 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -86.51 138.58 31.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.433 -0.58 . . . . 73.21 109.433 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.33 124.23 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.348 0.594 . . . . 65.11 110.759 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.82 31.76 0.84 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.417 -0.81 . . . . 65.34 110.381 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.62 ' O ' ' HE2' ' A' ' 93' ' ' LYS . 14.4 m -61.85 -30.7 71.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.691 -0.686 . . . . 71.22 111.381 -175.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.497 ' HH2' HD11 ' A' ' 104' ' ' LEU . 38.6 m95 -113.82 9.28 17.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.335 0.588 . . . . 73.42 111.292 178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 171.84 7.18 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.525 -0.761 . . . . 63.43 110.602 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HG2' ' A' ' 15' ' ' PRO . 87.6 mt -108.96 129.55 63.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.242 -0.435 . . . . 60.45 109.918 175.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.94 -178.47 4.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.725 -0.671 . . . . 72.44 110.691 -176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.771 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 48.6 t -68.91 -32.62 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.97 0.414 . . . . 73.21 110.861 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -30.13 67.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.035 0.445 . . . . 61.43 109.86 175.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -78.23 -38.06 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.878 -0.601 . . . . 72.21 109.841 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -64.53 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.268 0.556 . . . . 62.23 110.141 178.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.59 57.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.554 -0.748 . . . . 75.32 111.222 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 6.2 tmtm? -59.19 -44.66 92.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.923 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 31.2 p80 -76.34 -28.98 57.07 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 120.206 -0.598 . . . . 73.24 111.327 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.05 -43.37 73.75 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.407 0.442 . . . . 63.31 111.754 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -60.66 -48.59 81.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 61.23 111.422 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.92 -33.58 51.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 72.22 111.151 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 49' ' ' ILE . 2.3 t80 -64.78 -34.23 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 33.01 110.367 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.27 -38.37 71.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 72.14 110.252 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.8 m -75.79 -16.18 60.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.45 -0.796 . . . . 63.44 112.28 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.586 HD11 ' HD2' ' A' ' 57' ' ' PHE . 70.4 mt -75.33 -11.34 60.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.545 0.212 . . . . 73.44 111.215 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.88 65.7 1.94 Allowed Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.57 . . . . 74.45 112.07 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.81 136.48 23.15 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.011 1.807 . . . . 71.42 111.011 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.9 mm -90.82 -77.72 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.815 -0.354 . . . . 54.52 111.402 -176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -111.57 48.18 0.97 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.025 0.44 . . . . 75.14 110.845 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 21.01 79.24 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.761 -0.654 . . . . 51.44 112.962 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 22.0 p90 -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.562 -0.375 . . . . 72.0 110.286 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.628 HD12 ' HZ ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -138.74 171.62 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.174 -0.676 . . . . 73.02 109.174 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -131.87 -164.97 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.693 -0.403 . . . . 53.52 110.787 178.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.682 ' H ' HG22 ' A' ' 50' ' ' THR . . . -51.34 -37.13 38.69 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 123.291 0.369 . . . . 74.0 113.699 -175.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.37 -50.29 71.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.205 0.526 . . . . 72.44 111.264 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.483 ' HB3' HD13 ' A' ' 42' ' ' LEU . 3.5 mp0 -66.84 -46.28 75.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 63.25 110.292 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.06 79.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 71.4 111.426 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 79.5 ttt180 -60.04 -47.4 86.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 62.14 111.184 -178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 38.3 m-80 -67.56 -31.65 71.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.565 -0.289 . . . . 61.22 111.163 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.586 ' HD2' HD11 ' A' ' 42' ' ' LEU . 50.8 t80 -58.68 -59.17 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 72.41 111.548 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.734 ' HB2' HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -79.33 -24.13 43.0 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.784 -0.766 . . . . 73.54 111.546 -175.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.86 -26.92 63.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.164 0.507 . . . . 75.41 110.003 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -63.69 -40.26 96.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 70.13 109.649 176.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -66.68 -20.05 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.53 . . . . 53.02 111.616 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.4 38.41 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.46 -0.876 . . . . 73.34 113.647 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 68' ' ' LEU . 54.2 mt -101.41 154.46 37.21 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.813 0.307 . . . . 70.15 110.357 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.59 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.4 Cg_exo -58.48 149.41 75.16 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.826 2.351 . . . . 74.01 111.861 176.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.8 tt0 -59.96 -46.76 98.15 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.749 0.648 . . . . 73.44 112.749 -174.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 9.8 Cg_endo -54.63 -40.77 82.62 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 121.916 1.744 . . . . 73.41 111.497 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.851 HG13 ' HE2' ' A' ' 98' ' ' LYS . 50.6 t -62.2 -44.31 98.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.317 -0.856 . . . . 61.13 110.812 175.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.734 HD22 ' HB2' ' A' ' 58' ' ' PHE . 84.1 mt -63.15 -53.47 52.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.722 -0.672 . . . . 54.11 111.105 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.88 70.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.84 -0.618 . . . . 53.24 110.984 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -69.42 -37.61 77.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.538 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.881 HD13 HG12 ' A' ' 95' ' ' ILE . 26.9 mt -62.84 -38.83 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.9 -0.407 . . . . 64.35 109.9 175.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.427 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 19.1 t90 -66.66 -45.2 79.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 72.2 110.522 177.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -19.28 65.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.451 0.643 . . . . 71.12 110.46 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.825 HD22 ' HG ' ' A' ' 108' ' ' LEU . 10.8 mt -91.71 -27.2 18.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.229 -0.896 . . . . 74.32 111.771 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.55 -71.53 0.18 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.94 0.4 . . . . 65.35 110.884 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 96.69 6.16 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 107.601 -1.259 . . . . 52.35 107.601 169.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.7 mtm -54.25 -30.12 49.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.238 -1.346 . . . . 42.25 113.046 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -85.3 -1.34 56.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.038 -0.414 . . . . 73.43 110.195 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.452 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER 55.07 77.42 0.21 Allowed 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.707 -0.849 . . . . 53.52 108.707 -169.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.12 -23.88 24.72 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.807 -1.088 . . . . 75.25 109.08 -177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.427 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 75.81 28.8 60.28 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.455 -0.793 . . . . 41.15 112.932 174.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 83' ' ' MET . 34.1 ptt180 -165.45 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 64.53 110.502 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.517 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 7.1 ptp 58.65 177.39 0.07 Allowed 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.43 -1.259 . . . . 73.33 112.531 174.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' HA ' ' HE1' ' A' ' 5' ' ' HIS . 7.5 t70 -134.09 -176.67 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.771 -0.825 . . . . 70.13 108.771 172.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.581 ' HB2' ' HG2' ' A' ' 11' ' ' MET . 74.0 mm-40 -56.04 -29.96 61.21 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.02 0.378 . . . . 51.1 112.02 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -66.56 -44.32 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 120.981 -0.287 . . . . 71.23 110.979 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 19.4 mp0 -68.6 -37.89 80.19 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.417 0.627 . . . . 71.35 110.345 175.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.28 -34.71 77.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.691 -0.686 . . . . 74.02 110.611 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.2 t -76.12 -17.8 59.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.969 -0.56 . . . . 73.11 111.58 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.417 HG13 HD11 ' A' ' 27' ' ' ILE . 12.0 tt -97.31 -40.46 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 120.768 -0.373 . . . . 72.42 111.407 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -27.48 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.986 0.422 . . . . 51.43 111.81 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -28.48 68.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.845 -0.616 . . . . 53.33 111.838 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HE2' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -79.0 -29.37 43.66 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.924 -0.398 . . . . 61.23 109.924 -177.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 71' ' ' ILE . 21.3 tp -61.46 -45.67 93.3 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.096 -0.705 . . . . 63.34 109.096 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.881 HG12 HD13 ' A' ' 71' ' ' ILE . 47.8 mt -55.13 -45.31 77.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.994 -1.003 . . . . 74.15 111.057 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -56.49 -52.41 64.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.677 -0.692 . . . . 74.35 111.618 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.84 -26.34 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.938 -0.305 . . . . 72.25 110.864 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.851 ' HE2' HG13 ' A' ' 67' ' ' VAL . 67.4 tttt -64.65 -28.76 69.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.452 . . . . 65.31 109.922 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 95' ' ' ILE . 67.3 mt -60.17 -24.41 64.73 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.442 -0.799 . . . . 71.22 111.46 175.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -80.34 -9.19 59.74 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.47 -0.332 . . . . 73.42 111.096 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.6 54.1 0.41 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.658 -0.782 . . . . 74.51 112.514 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -132.96 168.43 18.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.615 -0.513 . . . . 74.41 109.615 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.81 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 90.9 mt-30 -136.4 -51.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.329 -0.148 . . . . 74.44 111.144 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.497 HD11 ' HH2' ' A' ' 25' ' ' TRP . 7.4 mp 65.75 165.37 0.12 Allowed Pre-proline 0 N--CA 1.469 0.505 0 O-C-N 123.568 0.542 . . . . 75.12 111.543 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.5 Cg_endo -98.38 -164.0 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.3 2.667 . . . . 73.34 112.938 175.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.6 m -81.79 6.64 14.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.979 -0.555 . . . . 71.55 111.344 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.44 109.56 20.43 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.771 -0.65 . . . . 73.24 110.922 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.825 ' HG ' HD22 ' A' ' 74' ' ' LEU . 35.5 mt -74.4 146.26 83.74 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-N 116.267 -0.424 . . . . 71.34 110.834 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 13.9 Cg_exo -70.22 152.8 67.09 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.332 2.022 . . . . 54.34 111.53 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -74.24 -4.91 16.17 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.661 2.241 . . . . 73.34 112.451 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 17.2 t -83.17 -30.73 8.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.984 -0.553 . . . . 73.02 110.911 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 72.2 mtp -76.42 -38.15 55.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.897 0.379 . . . . 74.54 110.483 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -87.48 -20.95 25.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.102 -0.499 . . . . 74.03 110.461 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.81 -169.19 0.19 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.585 -0.734 . . . . 64.55 110.791 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -112.48 99.49 47.31 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.948 -0.39 . . . . 71.14 109.948 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.63 134.24 34.66 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.999 2.466 . . . . 74.05 112.519 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.9 m -120.76 114.48 43.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.593 -0.73 . . . . 73.44 110.8 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -106.89 -24.52 12.01 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.837 -0.62 . . . . 65.5 109.884 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.3 mt 61.04 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.238 -0.892 . . . . 70.04 110.467 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 m -153.53 116.96 4.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.8 -0.636 . . . . 72.22 110.124 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.604 -0.713 . . . . 51.12 109.807 178.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.4 tpp . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 109.816 -0.439 . . . . 75.21 109.816 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.01 -4.94 30.41 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.518 -0.849 . . . . 62.32 112.276 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -81.2 64.44 5.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 44.42 109.721 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.63 97.72 5.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.506 -0.77 . . . . 63.5 109.877 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -141.11 94.22 2.68 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.214 -0.448 . . . . 72.24 109.966 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -164.34 97.74 0.8 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.887 -0.597 . . . . 65.03 109.757 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -109.39 -44.59 3.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.93 -0.577 . . . . 73.14 109.974 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -157.47 103.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.813 -0.81 . . . . 60.4 108.813 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -137.92 176.94 8.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.772 0.32 . . . . 71.13 111.15 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.65 157.9 15.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.8 -0.637 . . . . 75.13 110.488 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.2 153.03 21.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 72.14 110.383 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.54 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.622 0.249 . . . . 72.21 111.653 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 60.81 -163.31 0.25 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.687 -0.688 . . . . 55.54 112.704 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.797 ' HD1' ' HE ' ' A' ' 32' ' ' ARG . 56.3 m-85 -136.12 142.78 41.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 74.32 109.857 -176.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 26.7 Cg_exo -63.66 152.28 81.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.502 2.135 . . . . 62.24 111.274 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.766 ' H ' ' HD2' ' A' ' 17' ' ' PRO . 15.0 m -125.08 -52.1 0.03 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 112.454 0.538 . . . . 51.3 112.454 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.766 ' HD2' ' H ' ' A' ' 16' ' ' THR . 56.3 Cg_endo -69.59 160.2 50.65 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.812 1.675 . . . . 64.51 112.591 -178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -138.97 178.0 7.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.606 -0.724 . . . . 74.31 110.222 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.96 -171.55 24.46 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.529 -0.843 . . . . 44.43 112.291 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.37 93.41 1.54 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.111 -0.566 . . . . 64.53 111.988 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 p -95.84 161.02 14.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.953 0.406 . . . . 63.23 110.747 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' HD23 ' A' ' 22' ' ' LEU . 3.9 tt -81.77 -29.09 32.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.156 -1.053 . . . . 72.3 108.156 174.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -76.0 94.56 3.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.627 -1.169 . . . . 44.44 111.081 -175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 m -75.59 -27.83 58.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.855 0.836 . . . . 54.04 109.254 173.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.636 ' O ' ' HG3' ' A' ' 112' ' ' MET . 86.0 m95 -89.14 24.44 2.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.761 -1.109 . . . . 74.4 110.832 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.91 154.44 18.36 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.795 -1.093 . . . . 71.1 109.91 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 mt -94.3 83.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.319 0.58 . . . . 52.21 109.577 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.548 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -75.66 -177.16 3.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.092 -0.958 . . . . 54.34 110.886 -177.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.548 ' H ' HG22 ' A' ' 28' ' ' THR . 7.2 p -54.71 -47.32 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.53 0.567 . . . . 53.32 112.53 -176.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.95 -48.55 76.07 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.787 0.327 . . . . 62.33 110.164 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.29 -50.77 70.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.59 -0.732 . . . . 61.0 109.643 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.797 ' HE ' ' HD1' ' A' ' 14' ' ' PHE . 5.8 tpt180 -64.72 -41.62 95.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.265 -0.879 . . . . 61.52 111.156 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.01 72.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.463 0.173 . . . . 72.23 111.318 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -57.56 -25.91 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 63.54 112.023 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -56.32 -35.77 67.94 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-O 120.773 0.321 . . . . 64.23 110.309 -178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.95 -50.09 63.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.803 -0.635 . . . . 73.14 110.909 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -62.66 -49.12 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.772 -0.649 . . . . 74.11 110.824 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.24 -34.76 76.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.707 -0.679 . . . . 73.03 111.349 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' HE1' HD12 ' A' ' 49' ' ' ILE . 56.5 t80 -64.18 -40.44 96.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.868 0.366 . . . . 73.05 110.651 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.85 -38.5 86.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.081 0.467 . . . . 73.03 110.054 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -76.51 -18.08 58.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.943 -0.571 . . . . 63.41 111.474 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -65.12 -17.86 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 72.03 110.771 -179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? 65.64 72.51 0.45 Allowed Pre-proline 0 C--O 1.234 0.275 0 N-CA-C 108.653 -0.869 . . . . 60.43 108.653 -172.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.71 138.7 87.37 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.594 2.196 . . . . 71.13 112.441 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.2 mt -91.75 91.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.365 -0.834 . . . . 74.42 109.155 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 61.21 24.29 14.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.983 -0.553 . . . . 62.03 111.775 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.08 -15.32 11.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.344 -0.931 . . . . 61.32 113.738 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -130.13 169.6 15.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.55 0.675 . . . . 74.14 111.292 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.717 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.63 -177.42 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.58 -0.526 . . . . 63.35 109.58 177.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.9 t -161.53 177.84 9.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.763 -0.198 . . . . 73.41 110.484 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.75 -39.64 68.26 Favored Glycine 0 C--N 1.332 0.331 0 CA-C-N 116.193 -0.458 . . . . 74.45 113.27 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.82 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 73.44 111.289 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 11.0 mm-40 -72.62 -33.51 66.71 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.632 -0.427 . . . . 73.51 110.239 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.65 -55.73 29.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.787 -0.642 . . . . 73.31 110.737 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -59.3 -40.71 87.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.557 -0.292 . . . . 75.3 111.305 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -66.8 -53.28 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 63.24 111.119 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.456 ' CG ' HD22 ' A' ' 42' ' ' LEU . 54.5 t80 -65.02 -48.12 75.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.356 -0.384 . . . . 75.24 111.034 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.859 ' HB3' HD22 ' A' ' 68' ' ' LEU . 2.1 m-85 -59.25 -41.91 89.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.37 -0.377 . . . . 64.01 110.528 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.89 -41.2 97.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.193 0.52 . . . . 75.21 110.132 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -74.73 -5.19 41.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.751 -0.659 . . . . 73.3 110.583 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -84.14 -8.04 59.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.087 -0.506 . . . . 75.15 110.666 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.66 5.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.526 -0.845 . . . . 72.11 112.761 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 67' ' ' VAL . 78.0 mt -129.65 143.45 49.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.235 -0.283 . . . . 73.32 110.235 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.603 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 66.7 Cg_endo -76.21 163.69 32.29 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.582 2.188 . . . . 75.15 113.014 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.629 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -50.91 -52.12 60.61 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 115.292 -0.867 . . . . 73.12 112.996 -175.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.629 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 53.0 Cg_exo -54.5 -36.3 88.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.104 1.869 . . . . 65.32 112.489 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 63' ' ' LEU . 63.4 t -72.32 -41.82 65.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.56 178.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.7 mt -61.22 -51.43 69.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.767 -0.651 . . . . 41.23 110.528 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.16 -38.81 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.213 -0.903 . . . . 62.14 111.219 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -64.18 -39.96 95.11 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.39 -0.368 . . . . 63.42 111.005 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD23 ' A' ' 94' ' ' LEU . 97.7 mt -68.59 -44.63 82.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.156 0.503 . . . . 61.35 110.085 176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.785 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.5 t90 -63.94 -42.67 97.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.54 -0.755 . . . . 73.55 111.342 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -12.83 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.845 0.355 . . . . 75.14 111.206 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.894 HD22 ' HG ' ' A' ' 108' ' ' LEU . 22.8 mt -97.34 -38.38 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 63.43 111.993 179.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -62.98 -69.13 0.28 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.517 -0.311 . . . . 74.44 111.57 -169.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -83.91 95.62 8.56 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 107.645 -1.242 . . . . 74.1 107.645 171.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.492 ' SD ' ' HE3' ' A' ' 113' ' ' LYS . 48.0 mtm -52.94 -32.55 46.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.6 -1.182 . . . . 74.33 113.38 -173.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -77.89 -11.87 59.93 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.488 0.661 . . . . 74.23 109.704 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 49.17 76.17 0.13 Allowed 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.587 -1.188 . . . . 64.23 111.059 -174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -94.7 -24.95 16.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.093 -1.412 . . . . 61.13 108.905 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.785 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 92.64 29.93 10.3 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.302 -0.863 . . . . 71.52 112.103 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 82' ' ' ARG . 12.1 ptm85 -125.45 -48.56 1.69 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.854 -0.339 . . . . 71.04 111.799 -175.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.587 ' HA ' ' HB2' ' A' ' 87' ' ' GLU . 12.2 ptp 43.14 74.91 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 65.44 111.455 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.99 -176.73 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.692 -0.855 . . . . 61.35 108.692 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -50.89 -39.3 53.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.053 0.76 . . . . 74.43 113.053 -170.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.58 -48.6 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 118.023 0.374 . . . . 64.24 110.863 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 83' ' ' MET . 1.8 mp0 -66.12 -30.71 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.229 0.537 . . . . 70.51 110.891 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.99 -28.58 62.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.025 0.44 . . . . 72.42 110.682 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 m -66.78 -8.0 25.26 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.102 -0.499 . . . . 72.54 112.043 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 87' ' ' GLU . 10.9 tt -110.9 -20.91 5.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.086 0.469 . . . . 74.42 110.595 176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.2 -36.26 58.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.02 112.278 -173.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -22.23 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.488 -0.324 . . . . 74.45 111.828 -174.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -69.08 -38.9 79.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.788 0.327 . . . . 74.13 110.205 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.79 HD23 HG12 ' A' ' 71' ' ' ILE . 9.0 tp -65.76 -40.86 92.47 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.245 -0.434 . . . . 74.14 110.088 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.9 mt -57.93 -47.32 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 73.2 109.998 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 tttt -55.37 -41.52 72.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.278 -0.874 . . . . 63.11 111.414 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.64 -34.28 19.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.202 -0.453 . . . . 63.42 111.448 -175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 8.1 mtpm? -71.32 -27.86 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.891 -0.323 . . . . 61.13 111.058 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.94 -12.39 59.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.004 0.43 . . . . 71.41 110.731 174.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.55 -5.45 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.372 0.606 . . . . 71.22 109.666 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.06 49.52 2.06 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.894 -0.67 . . . . 33.01 112.085 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -118.69 161.18 20.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.302 0.572 . . . . 73.12 111.623 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -136.13 150.48 49.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.722 -1.126 . . . . 63.13 109.958 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 22.2 tp -153.59 142.62 14.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 108.524 -0.917 . . . . 73.11 108.524 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 5.1 Cg_exo -81.7 -166.0 0.37 Allowed 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.751 2.3 . . . . 73.42 111.893 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.665 ' HA ' HD21 ' A' ' 74' ' ' LEU . 69.9 m -79.9 14.6 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.213 0.53 . . . . 73.4 111.458 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.95 90.62 3.36 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.972 -0.558 . . . . 52.53 110.526 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.894 ' HG ' HD22 ' A' ' 74' ' ' LEU . 26.1 mt -67.65 144.59 97.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.449 176.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.6 152.31 78.5 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 121.981 1.787 . . . . 65.22 110.752 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.98 -20.92 72.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.79 2.326 . . . . 65.0 112.782 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.71 -31.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.222 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.636 ' HG3' ' O ' ' A' ' 25' ' ' TRP . 78.5 mtp -74.42 -44.87 49.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.743 0.306 . . . . 70.51 110.457 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.492 ' HE3' ' SD ' ' A' ' 77' ' ' MET . 14.7 ptmt -78.67 -12.78 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.208 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 64.6 -176.35 0.17 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.289 -0.869 . . . . 62.04 112.259 168.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.475 ' HB2' ' HD2' ' A' ' 116' ' ' PRO . 19.6 pt20 -156.82 162.68 27.14 Favored Pre-proline 0 N--CA 1.451 -0.396 0 CA-C-N 115.924 -0.58 . . . . 72.24 109.867 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 115' ' ' GLN . 61.2 Cg_endo -74.85 156.68 43.68 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.21 1.94 . . . . 75.25 111.616 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.0 p -93.3 141.26 14.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.575 0.703 . . . . 72.11 111.225 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.64 106.7 11.2 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.849 -1.069 . . . . 44.42 110.249 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.8 tt -80.96 -31.56 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.152 -0.477 . . . . 71.31 110.227 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.7 t -149.11 139.25 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.916 -0.584 . . . . 54.14 109.769 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.367 -0.825 . . . . 64.22 109.358 178.562 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.3 mtp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.754 -0.461 . . . . 62.03 109.754 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.12 -166.43 26.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 64.4 112.223 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -71.87 104.96 3.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.816 0.817 . . . . 73.41 111.217 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -141.2 125.84 17.89 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.498 -0.927 . . . . 75.3 108.498 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -80.84 52.1 1.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.022 0.439 . . . . 73.34 111.747 -171.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.6 m80 66.89 8.22 5.89 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.423 -0.808 . . . . 65.21 112.853 168.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -83.92 -170.34 3.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.606 0.224 . . . . 71.32 111.606 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' O ' ' HE2' ' A' ' 113' ' ' LYS . 61.1 m-70 59.13 73.56 0.48 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.74 0.65 . . . . 75.41 110.327 -171.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -84.49 24.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.581 -0.736 . . . . 73.51 111.113 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -83.75 81.4 8.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.173 -1.047 . . . . 74.2 108.173 170.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.36 132.35 44.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.589 -0.732 . . . . 71.22 111.863 -171.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' ' 116' ' ' PRO . . . -141.87 100.3 3.72 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 75.34 109.493 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.11 114.34 13.49 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.866 -0.606 . . . . 72.45 110.602 -175.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' HD2' ' HD3' ' A' ' 116' ' ' PRO . 36.3 p90 -102.87 150.8 38.12 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.13 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.88 136.23 52.01 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.559 2.173 . . . . 74.42 112.12 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -117.44 151.9 48.73 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.46 -0.791 . . . . 45.12 110.78 -178.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.37 -170.37 0.81 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.597 2.198 . . . . 71.35 112.105 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -128.97 108.31 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.262 0.553 . . . . 63.1 110.672 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.11 92.8 0.1 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.93 -0.653 . . . . 71.0 111.936 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.4 129.12 1.5 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.862 -0.685 . . . . 53.53 112.147 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -97.43 -7.46 31.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.031 0.443 . . . . 74.11 111.696 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.77 -5.25 15.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.138 -0.483 . . . . 70.31 110.491 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 8.7 m-20 -82.77 65.8 8.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.459 0.647 . . . . 74.44 110.33 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.571 HG22 HD11 ' A' ' 97' ' ' LEU . 21.8 m -81.65 -47.03 13.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 73.14 110.672 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.706 ' HH2' HD11 ' A' ' 104' ' ' LEU . 94.2 m95 -79.92 -21.62 43.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 74.43 111.028 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -66.51 134.33 52.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.17 -0.468 . . . . 71.24 110.817 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -81.03 99.22 4.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.966 -0.561 . . . . 75.45 110.273 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -71.37 166.8 20.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.737 -0.665 . . . . 63.24 110.387 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -50.84 -42.67 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 122.561 0.344 . . . . 74.44 111.488 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -62.69 -44.54 95.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 75.52 111.132 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 6.3 mm-40 -66.56 -31.67 72.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.209 0.528 . . . . 70.21 110.318 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -67.98 -47.82 67.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.963 -0.562 . . . . 74.33 110.287 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 -25.05 52.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 62.45 112.222 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.802 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 17.6 ptmt -57.94 -26.69 62.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.662 0.245 . . . . 71.41 111.662 -175.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.1 p-80 -60.08 -35.57 75.47 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.741 0.305 . . . . 71.34 110.302 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.03 -49.32 65.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.91 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -64.43 -46.21 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 72.13 110.772 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.678 HE21 ' N ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.52 -41.01 89.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.773 -177.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 12.6 t80 -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.971 -0.559 . . . . 61.53 110.27 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -67.12 -39.19 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.413 -0.812 . . . . 73.1 110.77 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.1 t -75.34 -19.02 59.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.865 -0.607 . . . . 63.42 111.617 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 53' ' ' GLN . 2.8 tt -78.13 -2.75 39.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.907 0.384 . . . . 73.22 111.177 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 65.42 74.43 0.38 Allowed Pre-proline 0 N--CA 1.466 0.375 0 CA-C-N 116.021 -0.536 . . . . 73.44 110.305 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.27 155.41 28.97 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.518 2.145 . . . . 74.53 112.535 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -118.04 117.74 55.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.537 -0.542 . . . . 74.3 109.537 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m 64.12 27.39 14.08 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.635 0.584 . . . . 71.2 110.528 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.19 36.2 89.65 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.869 -0.681 . . . . 70.11 111.894 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -150.38 145.55 26.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.866 0.365 . . . . 72.03 110.411 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.6 pp -114.74 -172.45 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.976 -0.556 . . . . 75.4 109.837 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 51' ' ' GLY . 0.6 OUTLIER -151.81 179.41 8.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.901 -0.407 . . . . 63.22 109.901 177.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 50' ' ' THR . . . -57.94 -46.2 92.77 Favored Glycine 0 C--N 1.333 0.383 0 O-C-N 123.296 0.373 . . . . 72.43 113.868 -173.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -60.44 -43.25 97.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 117.013 0.406 . . . . 65.02 110.689 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.612 ' HB3' HD21 ' A' ' 42' ' ' LEU . 14.2 mm100 -64.97 -37.86 89.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.966 -0.561 . . . . 61.45 111.168 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.29 70.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 71.32 110.712 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 48.0 mtp85 -59.71 -49.82 76.25 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.789 -0.641 . . . . 74.53 110.561 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -52.16 -45.96 65.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.791 -1.095 . . . . 71.31 111.52 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -61.91 -48.01 82.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 65.01 110.557 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.614 ' CB ' HD22 ' A' ' 68' ' ' LEU . 12.3 m-30 -61.25 -34.6 75.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.08 0.467 . . . . 74.22 110.407 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.78 -36.54 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 64.21 110.31 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.48 -5.02 40.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.201 -0.454 . . . . 65.25 111.42 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m -90.23 -5.4 56.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.067 0.46 . . . . 54.51 110.935 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.05 18.26 44.03 Favored Glycine 0 N--CA 1.454 -0.151 0 C-N-CA 120.913 -0.66 . . . . 73.41 112.752 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.733 HD22 HG11 ' A' ' 67' ' ' VAL . 85.4 mt -107.73 144.9 30.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 122.874 -0.192 . . . . 71.42 110.725 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 72.4 Cg_endo -77.3 163.94 29.55 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.963 2.442 . . . . 63.53 113.227 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.646 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 83.6 mm-40 -48.41 -52.81 40.24 Favored Pre-proline 0 N--CA 1.472 0.666 0 N-CA-C 113.353 0.871 . . . . 75.23 113.353 -175.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.9 Cg_exo -54.47 -36.67 88.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.182 1.921 . . . . 42.34 112.255 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.733 HG11 HD22 ' A' ' 63' ' ' LEU . 54.1 t -72.71 -39.66 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.681 -0.69 . . . . 73.23 110.472 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 24.1 mt -62.04 -54.6 39.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.932 -0.576 . . . . 73.31 110.347 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.31 75.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.128 -0.942 . . . . 61.24 110.928 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -68.11 -31.31 70.83 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.429 -0.35 . . . . 73.33 111.458 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.1 mt -71.33 -47.29 60.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.874 -0.417 . . . . 71.21 109.874 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.456 ' HD1' ' HE3' ' A' ' 83' ' ' MET . 19.3 t90 -58.66 -57.08 14.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.61 -0.723 . . . . 71.42 110.658 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.9 -12.85 57.75 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.563 0.539 . . . . 73.13 112.037 -175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.51 HD13 HD21 ' A' ' 94' ' ' LEU . 3.9 mt -86.76 -39.31 16.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.637 175.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -64.6 -52.88 55.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.895 -0.593 . . . . 60.35 111.487 -173.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -85.68 93.71 8.91 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.895 0.855 . . . . 51.24 108.703 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 ptp -59.49 -30.82 68.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.817 -1.083 . . . . 74.41 112.052 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -82.49 -7.63 59.63 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.723 -0.671 . . . . 63.21 110.492 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.413 HD22 ' HA ' ' A' ' 79' ' ' ASN . 3.2 t-20 49.47 75.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.22 -0.9 . . . . 63.42 110.175 -172.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.501 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 34.1 t70 -77.39 -32.61 54.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.917 -1.038 . . . . 70.42 109.835 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.09 -5.24 85.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.807 -0.711 . . . . 74.43 112.196 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 43.9 mtm180 -119.7 -46.5 2.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.239 -0.282 . . . . 74.44 110.239 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.75 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 44.6 ttm 70.43 115.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.371 1.044 . . . . 75.54 112.144 176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -91.8 -174.69 3.91 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.484 -0.78 . . . . 65.31 109.084 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -65.36 -25.38 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.634 0.235 . . . . 73.42 111.634 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' HB ' ' OE1' ' A' ' 87' ' ' GLU . 58.7 t -67.91 -57.04 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.727 0.299 . . . . 61.15 110.323 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.75 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 1.6 mp0 -64.4 -30.31 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 63.55 110.227 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HZ ' HD13 ' A' ' 42' ' ' LEU . 23.5 t80 -68.86 -28.9 67.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.905 -0.589 . . . . 62.23 110.466 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.1 m -68.99 -46.8 67.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.82 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -69.57 -29.71 42.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.038 -0.528 . . . . 72.13 110.633 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -65.46 -35.1 79.9 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.163 -0.472 . . . . 72.21 111.108 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.0 mmt -70.11 -15.05 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 73.43 111.965 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HG3' ' OE2' ' A' ' 31' ' ' GLU . 64.6 tttp -91.03 -34.12 15.24 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.454 -0.498 . . . . 73.5 110.162 176.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.51 HD21 HD13 ' A' ' 74' ' ' LEU . 1.1 mp -57.35 -35.79 70.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.357 -0.383 . . . . 63.24 111.645 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 58' ' ' PHE . 37.8 mt -57.42 -39.81 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 32.44 110.88 -178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 96' ' ' LYS . 49.7 mmtt -67.12 -43.69 81.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.274 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.571 HD11 HG22 ' A' ' 24' ' ' THR . 3.6 mm? -69.02 -37.2 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.024 0.44 . . . . 54.53 110.129 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.567 ' HE2' HG13 ' A' ' 67' ' ' VAL . 16.8 tptt -61.96 -49.28 76.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.592 -0.731 . . . . 55.33 110.715 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.3 mt -67.64 -25.69 65.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.419 -0.81 . . . . 74.01 112.341 -176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -92.94 0.28 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.562 0.578 . . . . 74.31 112.562 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 135.98 -14.87 4.06 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 119.326 -1.416 . . . . 75.35 114.396 173.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 94.4 m-85 -87.91 159.54 18.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.485 0.642 . . . . 74.11 110.493 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -137.63 -34.15 0.7 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.013 -0.54 . . . . 64.34 110.809 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.706 HD11 ' HH2' ' A' ' 25' ' ' TRP . 6.5 mp 66.34 156.08 0.13 Allowed Pre-proline 0 N--CA 1.468 0.455 0 CA-C-O 121.443 0.639 . . . . 71.21 112.584 175.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 8.4 Cg_endo -88.42 -163.23 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.478 2.785 . . . . 74.25 110.915 170.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.3 m -77.53 -0.75 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.219 0.533 . . . . 73.02 110.737 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.65 117.37 26.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.813 -0.63 . . . . 74.05 110.803 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.47 ' HB3' HD22 ' A' ' 74' ' ' LEU . 2.9 pp -91.4 160.96 35.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 70.31 111.085 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 32.1 Cg_exo -59.93 152.41 64.6 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.709 2.273 . . . . 61.43 113.017 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.488 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 17.2 Cg_exo -68.47 -15.26 41.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.977 2.452 . . . . 71.53 112.061 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.52 -19.75 20.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 43.22 110.734 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.3 mtt -93.96 -47.58 6.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 72.35 111.361 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 12.2 ptmt -67.27 -38.94 85.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 73.3 110.554 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.454 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 82.4 mt-30 64.07 153.99 0.05 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.715 1.006 . . . . 63.22 113.715 170.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 28.5 tt0 -172.27 100.33 0.36 Allowed Pre-proline 0 C--O 1.236 0.356 0 CA-C-N 114.818 -1.083 . . . . 73.13 110.45 175.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 12' ' ' ALA . 96.6 Cg_endo -80.94 -158.93 0.1 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.451 2.101 . . . . 71.2 110.696 172.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.86 138.11 20.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.537 -0.542 . . . . 70.34 109.537 175.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.2 84.87 0.66 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.329 -0.851 . . . . 60.34 109.452 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.6 tt -65.85 112.66 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 74.44 111.097 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 p -96.97 113.68 25.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.459 -0.791 . . . . 74.52 110.427 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.782 -0.628 . . . . 63.05 110.209 179.529 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.722 0.296 . . . . 61.13 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.02 151.42 10.26 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.381 -0.914 . . . . 71.51 112.067 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -82.53 162.77 21.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.031 -0.359 . . . . 65.41 110.031 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -83.41 -0.63 50.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.663 0.268 . . . . 72.53 111.053 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 74.65 -33.37 0.24 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.574 0.749 . . . . 74.13 112.74 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.19 114.24 4.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.046 -0.353 . . . . 75.41 110.046 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -155.51 160.28 40.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.02 0.438 . . . . 64.34 111.253 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -139.98 135.38 32.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.546 -0.752 . . . . 70.35 109.448 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 3.2 p -142.84 100.46 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.234 0.54 . . . . 72.21 112.002 -175.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -135.07 148.36 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.773 -0.649 . . . . 72.41 109.848 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mmt -158.19 -92.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.409 0.443 . . . . 73.34 110.674 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.3 -176.74 0.12 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.89 -0.596 . . . . 72.45 111.805 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 59.1 77.3 0.31 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.767 -0.652 . . . . 63.22 112.127 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -119.38 94.2 48.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.84 -0.618 . . . . 71.11 110.084 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -91.45 162.24 3.61 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.874 2.382 . . . . 72.41 112.349 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 t -76.3 133.42 71.59 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.606 -0.516 . . . . 75.11 109.606 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.43 136.43 39.82 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 122.65 2.233 . . . . 73.11 112.677 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -137.96 152.22 48.72 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.115 -0.948 . . . . 71.51 110.169 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.63 -60.66 4.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.327 -0.463 . . . . 72.43 112.069 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.69 159.59 15.42 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 121.016 -0.611 . . . . 61.13 112.038 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.3 m -85.3 89.72 7.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.832 0.349 . . . . 65.22 110.943 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 mp -83.91 -22.86 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.697 . . . . 74.41 109.439 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -99.91 91.05 4.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.793 -1.094 . . . . 75.21 109.718 175.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 m -71.55 -33.74 69.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 75.01 111.791 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -92.59 10.54 29.99 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.506 0.67 . . . . 73.52 111.288 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.699 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -119.56 174.56 6.32 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.861 -1.063 . . . . 75.31 109.313 171.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 mm -103.96 102.35 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.516 0.674 . . . . 72.43 110.921 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -81.52 159.28 24.2 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.901 -1.045 . . . . 71.23 109.733 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.675 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 26.3 t -58.4 -22.97 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 43.01 110.228 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 44.5 tt0 -75.26 -43.86 49.07 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 74.43 109.677 172.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.89 -41.07 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.513 -0.312 . . . . 74.4 111.545 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 29' ' ' VAL . 11.7 ptm180 -61.37 -37.51 83.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 72.03 110.237 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.12 -38.67 43.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.607 -0.724 . . . . 71.15 111.17 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 1.1 tmtm? -56.31 -41.7 76.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.216 -0.902 . . . . 54.31 110.886 -177.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HE2' ' HB3' ' A' ' 93' ' ' LYS . 46.8 m170 -64.1 -34.0 77.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 53.21 111.966 -174.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.5 -42.11 79.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.621 0.248 . . . . 64.32 110.743 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -60.46 -35.84 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 60.21 110.492 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -73.36 -50.94 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.896 -0.593 . . . . 72.23 110.004 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' HA ' HD23 ' A' ' 42' ' ' LEU . 24.8 t80 -60.09 -33.14 71.68 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.713 -0.676 . . . . 63.35 111.51 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -35.98 52.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.916 -0.584 . . . . 75.5 110.913 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -76.63 -17.23 59.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 34.35 112.306 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 39' ' ' PHE . 4.4 mm? -68.5 -7.53 33.06 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 64.33 112.208 -176.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 92.2 mttt 64.04 62.4 1.49 Allowed Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.434 -0.803 . . . . 73.03 110.86 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 15.7 Cg_exo -64.16 131.8 31.75 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 121.881 1.721 . . . . 73.3 111.464 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 tt -68.27 -36.15 73.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.443 0.64 . . . . 64.3 110.792 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -152.77 -60.33 0.15 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.888 -0.782 . . . . 62.45 108.888 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 9' ' ' SER . . . -150.9 19.68 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.432 -0.804 . . . . 74.25 111.43 174.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 35.5 p90 -153.76 167.62 29.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.716 0.293 . . . . 64.21 111.036 -176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.12 -164.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.445 -0.798 . . . . 64.51 109.268 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 51' ' ' GLY . 2.2 m -140.6 171.09 14.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.056 -0.349 . . . . 74.32 110.056 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.583 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -52.66 -41.78 57.63 Favored Glycine 0 C--N 1.337 0.584 0 O-C-N 123.254 0.346 . . . . 51.0 112.696 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.67 -46.65 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.773 0.321 . . . . 71.02 110.797 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.62 -40.01 86.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.865 -0.607 . . . . 70.04 110.614 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.92 -54.45 46.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 35.1 110.959 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 23.6 mtt180 -59.76 -41.77 91.77 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.275 -0.421 . . . . 73.33 110.48 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -54.86 -46.93 74.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.545 -0.752 . . . . 63.51 110.967 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.94 -44.68 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 73.14 110.969 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 68' ' ' LEU . 9.8 m-30 -60.45 -45.83 92.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.012 0.434 . . . . 71.53 110.226 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -65.25 -40.94 94.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.751 -0.659 . . . . 73.42 110.501 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.86 -23.6 67.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.75 -0.659 . . . . 72.43 110.841 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.59 ' HB3' HD11 ' A' ' 99' ' ' LEU . 50.4 m -80.5 -7.69 59.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 45.43 111.199 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.23 42.36 4.32 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.658 -0.782 . . . . 54.11 112.787 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.667 HD22 HG11 ' A' ' 67' ' ' VAL . 87.2 mt -123.53 143.82 42.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.629 0.252 . . . . 64.43 110.397 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.4 Cg_exo -72.05 160.11 48.33 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.39 2.727 . . . . 75.11 112.327 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.621 ' HA ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mp0 -56.22 -46.7 99.76 Favored Pre-proline 0 N--CA 1.469 0.501 0 N-CA-C 113.41 0.893 . . . . 73.45 113.41 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 50.8 Cg_exo -55.61 -30.04 73.04 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 121.928 1.752 . . . . 74.24 112.046 175.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG11 HD22 ' A' ' 63' ' ' LEU . 93.9 t -80.19 -33.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.796 -0.638 . . . . 73.42 110.23 178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 58' ' ' PHE . 15.6 mt -63.29 -52.59 61.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.504 0.669 . . . . 71.35 109.669 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.03 69.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.004 -0.998 . . . . 72.52 110.895 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -62.21 -40.03 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.145 0.498 . . . . 64.45 109.871 177.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.565 ' HA ' HD23 ' A' ' 94' ' ' LEU . 33.6 mt -70.2 -46.67 71.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.606 . . . . 64.51 110.305 176.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -66.33 -38.03 86.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 73.21 111.534 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -29.2 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.261 0.553 . . . . 71.54 110.443 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 105' ' ' PRO . 27.2 mt -82.77 -41.81 18.73 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.443 -0.798 . . . . 74.13 110.868 176.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -65.46 -48.31 73.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.591 -0.731 . . . . 62.41 112.289 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 35.6 t0 -75.7 73.79 2.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.54 0.686 . . . . 63.11 109.827 -176.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.3 mtm -67.68 -41.09 84.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 114.955 -1.02 . . . . 65.33 111.9 -174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -83.99 -10.08 58.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.451 -0.574 . . . . 71.21 109.451 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.621 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.1 t-20 52.7 70.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.628 -1.169 . . . . 70.34 110.715 -176.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 8.6 t70 -96.15 -25.09 15.99 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.081 -0.963 . . . . 73.32 109.585 177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.15 -23.63 23.11 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.896 -0.669 . . . . 64.03 112.039 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 83' ' ' MET . 0.0 OUTLIER -115.17 -39.45 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.523 -0.547 . . . . 72.25 109.523 175.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.545 ' HG2' ' O ' ' A' ' 82' ' ' ARG . 3.7 ptp 64.09 173.01 0.18 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.748 1.28 . . . . 73.3 111.073 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -134.17 -175.68 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.39 -0.596 . . . . 72.21 109.39 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 27.6 mm-40 -59.39 -19.88 50.46 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.78 1.03 . . . . 64.03 113.78 -171.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.48 -56.03 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.773 -0.454 . . . . 74.12 109.773 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.601 ' O ' HG22 ' A' ' 90' ' ' ILE . 7.1 mp0 -65.17 -36.17 83.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.671 -0.695 . . . . 62.21 111.094 176.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CZ ' ' HG ' ' A' ' 42' ' ' LEU . 37.4 t80 -72.75 -28.07 62.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.425 -0.352 . . . . 74.24 111.551 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.3 t -55.6 -38.52 69.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 74.51 111.067 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 87' ' ' GLU . 18.4 tt -74.6 -22.38 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.011 0.434 . . . . 74.43 111.064 -175.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -75.9 -32.48 59.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 71.02 111.471 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.563 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 10.6 mmt -69.9 -8.66 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.513 0.56 . . . . 72.44 112.513 -172.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HE2' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -105.15 -15.11 15.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.875 0.369 . . . . 70.02 110.628 178.287 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 71' ' ' ILE . 11.9 tp -77.43 -31.52 54.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.139 0.495 . . . . 43.01 109.775 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.446 HD13 HD13 ' A' ' 71' ' ' ILE . 17.1 mm -54.15 -49.21 63.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.042 -0.981 . . . . 72.15 109.956 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -55.23 -50.96 68.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.347 -0.842 . . . . 75.33 111.016 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.501 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 32.4 tp -68.63 -44.51 74.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 72.4 111.404 -175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.64 ' HE3' HG13 ' A' ' 67' ' ' VAL . 28.3 mtpp -71.97 -28.67 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.922 -0.311 . . . . 72.41 111.447 -176.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 61' ' ' SER . 25.6 mt -68.94 -16.16 63.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.598 0.237 . . . . 75.14 110.941 175.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -91.57 -4.74 55.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 73.13 110.394 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.62 53.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.972 -0.633 . . . . 72.51 113.016 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.501 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 96.5 m-85 -133.76 160.51 37.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.102 0.477 . . . . 70.12 111.025 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -154.39 151.62 29.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.783 -0.644 . . . . 61.34 110.342 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.4 tp -150.09 144.89 18.03 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.422 -0.584 . . . . 74.54 109.422 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.608 ' O ' HD21 ' A' ' 74' ' ' LEU . 52.0 Cg_exo -55.08 166.39 2.24 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.602 2.201 . . . . 60.41 112.507 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 p -73.71 0.68 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.083 0.468 . . . . 63.42 112.042 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.58 21.99 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.64 -0.709 . . . . 65.33 110.683 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 108' ' ' LEU . 3.4 mm? -75.25 144.14 77.98 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.651 0.262 . . . . 73.13 110.769 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' A' ' 112' ' ' MET . 35.5 Cg_endo -67.12 153.43 77.62 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.18 1.92 . . . . 71.23 111.316 173.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.37 -15.63 46.03 Favored 'Trans proline' 0 N--CA 1.466 -0.123 0 C-N-CA 122.494 2.129 . . . . 70.03 112.419 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 t -79.37 -37.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 63.04 111.007 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.59 ' HE2' HG13 ' A' ' 90' ' ' ILE . 57.5 mmm -60.61 -44.24 96.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.354 0.597 . . . . 53.4 111.29 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -90.16 -17.29 27.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.555 -0.748 . . . . 72.33 110.125 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 62.38 176.82 0.14 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.162 -0.927 . . . . 75.44 110.906 -173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -124.85 102.91 31.34 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 107.931 -1.136 . . . . 72.31 107.931 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.08 118.23 2.28 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.552 2.835 . . . . 65.14 113.213 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.4 m -82.67 100.51 6.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.07 -0.968 . . . . 43.54 110.572 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.64 32.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.796 -1.093 . . . . 75.42 109.476 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.7 tt -53.65 111.55 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.78 0.8 . . . . 65.02 111.608 -176.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.2 m -152.88 -171.18 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.999 -1.0 . . . . 53.12 109.295 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.124 -0.941 . . . . 62.23 110.345 178.026 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' SD ' ' HD1' ' A' ' 25' ' ' TRP . 59.0 mtt . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.66 0.266 . . . . 44.12 111.157 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.23 56.95 5.0 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.861 -0.685 . . . . 75.53 112.91 -177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -103.23 97.91 7.92 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.332 -0.618 . . . . 63.02 109.332 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -80.44 98.8 7.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.61 . . . . 72.34 110.808 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -141.86 100.62 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.313 -0.403 . . . . 75.22 110.236 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -80.59 112.14 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.808 -0.633 . . . . 71.22 110.349 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -161.13 120.6 2.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.292 -0.632 . . . . 73.33 109.292 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.72 149.19 47.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.734 0.302 . . . . 70.23 111.425 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.524 ' OG ' ' HE3' ' A' ' 113' ' ' LYS . 64.2 p -163.95 167.38 20.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.195 -0.457 . . . . 65.04 110.621 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -113.8 144.67 42.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.127 -0.694 . . . . 72.12 109.127 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ptm -70.9 150.38 45.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.479 . . . . 62.34 111.175 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.1 -168.76 1.51 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.912 -0.585 . . . . 72.35 110.305 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.592 ' HG2' HH12 ' A' ' 32' ' ' ARG . 36.4 mt-30 -114.85 134.84 54.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.795 0.331 . . . . 61.11 110.196 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.532 ' HB3' ' HD2' ' A' ' 15' ' ' PRO . 49.3 m-85 -73.68 167.13 37.92 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.006 -0.543 . . . . 73.04 110.091 177.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 14' ' ' PHE . 56.2 Cg_endo -70.52 -162.92 0.11 Allowed 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.325 2.016 . . . . 65.34 112.173 175.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 14.6 t -58.14 135.25 84.38 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.281 -0.418 . . . . 73.31 110.662 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 24.2 Cg_exo -65.29 79.14 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.317 2.678 . . . . 74.42 113.863 -175.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -140.26 122.37 15.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.034 -0.728 . . . . 74.41 109.034 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.68 -157.51 13.15 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.259 -0.972 . . . . 74.42 113.636 -172.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.11 -42.04 0.53 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.091 -1.204 . . . . 53.44 110.091 -173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 m -101.21 148.66 24.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.692 -0.855 . . . . 61.14 108.692 170.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.29 141.19 38.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.995 0.426 . . . . 62.5 111.523 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -142.93 131.7 22.69 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.424 -0.954 . . . . 71.31 108.424 175.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -88.08 -40.15 14.03 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.926 -0.579 . . . . 71.5 112.206 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.448 ' HB3' ' CG ' ' A' ' 112' ' ' MET . 37.7 m95 -89.06 -17.11 29.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.369 -0.378 . . . . 70.01 111.618 -170.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.52 125.79 24.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.655 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 90' ' ' ILE . 79.1 mt -93.49 108.63 20.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.155 0.502 . . . . 73.35 110.821 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 31' ' ' GLU . 2.8 m -77.35 168.32 20.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.532 -0.758 . . . . 71.4 110.069 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.16 -27.85 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.968 0.413 . . . . 72.31 110.355 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.61 -53.4 52.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.571 . . . . 74.23 110.397 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.575 ' HG2' ' HE3' ' A' ' 93' ' ' LYS . 2.0 mp0 -59.3 -35.73 74.31 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.733 0.301 . . . . 72.23 110.652 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.592 HH12 ' HG2' ' A' ' 13' ' ' GLN . 51.7 ttp180 -62.54 -44.07 97.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.306 -0.406 . . . . 75.12 110.367 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.6 66.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 73.22 111.113 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 21.0 mmtp -61.1 -25.87 67.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.054 0.761 . . . . 75.2 113.054 -176.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 2.5 p80 -55.8 -36.06 67.01 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.933 -0.395 . . . . 75.4 109.933 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.84 -48.55 76.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.723 -0.671 . . . . 74.11 111.487 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.52 -50.31 71.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 75.4 110.537 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -67.1 -32.76 74.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.691 -0.686 . . . . 64.34 111.086 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 10.5 t80 -70.91 -36.84 72.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.29 0.567 . . . . 73.21 109.936 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.506 -0.77 . . . . 63.24 110.386 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -72.01 -21.34 61.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.392 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HG ' ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -72.86 -15.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 74.41 109.916 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 63.18 71.66 0.63 Allowed Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 115.41 -0.814 . . . . 53.02 110.849 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -69.17 156.96 63.33 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.832 2.354 . . . . 75.22 111.875 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.3 mp -75.69 -63.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.022 0.439 . . . . 71.42 110.117 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 p -120.72 27.33 8.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.482 0.658 . . . . 62.12 110.444 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.2 2.16 64.29 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.767 -0.73 . . . . 54.44 111.305 -175.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.77 163.25 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.941 0.4 . . . . 54.41 110.131 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.507 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 45.1 pt -135.95 -166.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.384 -0.825 . . . . 74.2 109.316 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -148.8 175.52 11.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.851 -0.426 . . . . 73.05 109.851 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.22 95.84 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.506 -0.378 . . . . 61.0 113.707 -172.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 37.1 t70 -62.98 -35.17 79.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.962 0.41 . . . . 72.11 111.271 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.4 -34.0 58.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.968 0.413 . . . . 72.24 110.515 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.83 77.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.733 -0.667 . . . . 62.31 111.722 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 17.0 ptt180 -60.73 -33.17 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.736 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -60.6 -40.79 93.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.882 0.372 . . . . 75.33 110.999 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.527 ' HB2' ' HG ' ' A' ' 42' ' ' LEU . 61.8 t80 -64.41 -49.26 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.931 0.396 . . . . 72.41 110.845 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HB2' HD22 ' A' ' 68' ' ' LEU . 13.5 m-85 -66.24 -33.86 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.138 0.494 . . . . 74.45 110.672 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.453 ' HD1' HD11 ' A' ' 68' ' ' LEU . 57.3 t80 -65.6 -31.3 72.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.587 . . . . 74.12 109.8 176.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -11.93 60.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.584 -0.734 . . . . 55.2 110.193 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 m -84.75 -7.18 59.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 63.44 110.9 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.82 41.49 7.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 54.02 112.516 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 60.7 mt -117.25 144.52 34.0 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.599 0.238 . . . . 74.2 110.548 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 15.9 Cg_exo -68.27 152.67 75.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.017 2.478 . . . . 75.04 112.38 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.545 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.9 mp0 -54.44 -48.8 93.82 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 112.879 0.696 . . . . 65.35 112.879 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.1 Cg_exo -56.28 -30.19 79.47 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.86 1.706 . . . . 72.32 112.378 177.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 71' ' ' ILE . 57.7 t -81.05 -39.25 17.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 75.14 110.279 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 80.8 mt -55.25 -49.37 72.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.295 0.569 . . . . 75.44 110.562 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.48 -28.78 69.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.045 -0.98 . . . . 44.42 111.118 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -73.24 -41.0 64.21 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.419 -0.355 . . . . 75.34 110.738 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.719 HG21 HD11 ' A' ' 95' ' ' ILE . 2.3 mt -65.66 -46.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 64.4 110.718 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.657 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 23.4 t90 -62.8 -43.97 97.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.058 -0.519 . . . . 61.01 110.731 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.8 -12.55 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.015 0.435 . . . . 70.21 111.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.014 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.8 mt -95.55 -33.73 12.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.904 -0.589 . . . . 33.45 111.723 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.73 -70.65 0.22 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.381 -0.372 . . . . 71.44 110.663 -175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.773 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 9.5 p-10 -84.94 91.08 7.96 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.797 0.808 . . . . 75.23 109.153 174.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.7 mtm -55.06 -28.7 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.46 -1.245 . . . . 73.54 111.918 -177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.11 -12.5 61.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.404 -0.362 . . . . 75.12 110.625 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.425 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER 52.62 66.25 1.28 Allowed 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.764 -0.653 . . . . 73.13 109.417 -174.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.57 -25.35 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.508 -0.769 . . . . 74.21 109.232 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.657 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 87.29 29.05 23.36 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.308 -0.86 . . . . 64.53 112.252 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -135.3 -40.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.536 0.198 . . . . 65.31 111.536 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 ttm 58.57 91.11 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.935 0.772 . . . . 72.1 110.811 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' HB3' ' H ' ' A' ' 85' ' ' GLN . 2.3 m-20 -82.64 -166.25 1.25 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.421 0.629 . . . . 60.2 110.987 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 49.3 mm-40 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.407 -0.815 . . . . 64.11 112.645 -169.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -78.49 -36.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.097 -0.641 . . . . 73.31 110.441 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.773 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 3.3 mp0 -68.05 -41.53 81.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.439 . . . . 64.52 110.507 176.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD2' ' HD2' ' A' ' 39' ' ' PHE . 54.0 t80 -65.35 -30.45 71.28 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.757 0.313 . . . . 62.55 110.526 175.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.6 m -64.48 -43.65 93.48 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.046 0.45 . . . . 72.51 110.868 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 27' ' ' ILE . 16.8 tt -71.43 -19.58 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.046 -0.525 . . . . 75.43 110.957 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.47 -14.73 60.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 64.41 111.679 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.412 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.4 tpt -57.78 -41.5 82.16 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.014 0.435 . . . . 72.34 110.994 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' HE3' ' HG2' ' A' ' 31' ' ' GLU . 28.3 mmtp -80.18 -26.05 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 74.44 111.225 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 71' ' ' ILE . 31.9 tp -73.47 -52.47 13.55 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.442 -0.345 . . . . 74.22 111.435 -174.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.719 HD11 HG21 ' A' ' 71' ' ' ILE . 50.4 mm -56.94 -41.43 76.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.115 -0.493 . . . . 75.54 111.035 -177.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 52.3 tttp -62.12 -47.67 83.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 74.33 110.549 -178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 97' ' ' LEU . 4.4 mm? -71.45 -22.55 61.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.481 -0.327 . . . . 73.52 111.64 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' HD11 ' A' ' 71' ' ' ILE . 18.5 mmtm -71.63 -36.34 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.395 . . . . 61.43 110.434 175.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.9 mt -77.29 -11.46 59.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.885 -0.598 . . . . 71.51 110.682 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 16.0 mm100 -85.67 -11.64 53.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 70.4 111.022 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.71 -8.06 36.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.652 -0.785 . . . . 54.21 113.386 177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -82.8 150.23 26.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.764 0.792 . . . . 75.44 111.173 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -123.59 167.18 14.27 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.883 -1.053 . . . . 75.2 110.235 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 53.8 mt -151.97 154.22 32.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.265 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.483 ' O ' HD21 ' A' ' 74' ' ' LEU . 2.8 Cg_exo -76.72 -163.61 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 123.43 2.753 . . . . 63.43 111.732 175.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.2 m -83.43 9.59 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.211 0.529 . . . . 64.23 111.375 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.06 116.64 23.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.956 -0.565 . . . . 74.15 111.047 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 1.014 ' HG ' HD22 ' A' ' 74' ' ' LEU . 64.5 mt -83.65 146.21 49.34 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.243 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HG2' ' HG3' ' A' ' 112' ' ' MET . 18.9 Cg_endo -60.67 153.59 60.86 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.613 2.209 . . . . 71.33 112.086 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.709 ' HA ' ' HD2' ' A' ' 113' ' ' LYS . 25.8 Cg_exo -64.42 -9.23 19.42 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.168 2.578 . . . . 33.21 112.917 -178.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.9 t -80.02 -36.43 16.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.142 -0.481 . . . . 62.02 111.054 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.451 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 80.6 mtp -74.71 -51.41 14.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.202 0.525 . . . . 65.12 110.469 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.709 ' HD2' ' HA ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -76.7 -14.91 59.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 72.12 111.079 -177.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 59.27 -167.43 0.16 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.339 -0.846 . . . . 74.45 112.834 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -117.87 121.97 31.08 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 114.805 -1.089 . . . . 72.33 108.942 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 9' ' ' SER . 44.0 Cg_endo -69.12 123.08 9.95 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.222 1.948 . . . . 70.33 111.68 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.6 m -84.39 84.89 2.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 122.222 1.011 . . . . 63.21 111.064 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 179.08 137.81 0.1 Allowed 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 113.976 -1.466 . . . . 62.43 109.328 -175.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.7 tt -95.17 128.5 46.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.252 0.549 . . . . 73.01 109.809 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.7 m -93.44 158.56 15.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 55.45 111.477 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.25 1.097 0 N-CA-C 109.077 -0.712 . . . . 60.33 109.077 177.42 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' SD ' ' HD2' ' A' ' 44' ' ' PRO . 23.8 ptm . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.967 -0.383 . . . . 65.42 109.967 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.61 55.62 0.22 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.576 -0.821 . . . . 34.31 111.953 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 98.5 m-70 -110.14 110.67 21.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.576 -0.527 . . . . 63.11 109.576 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 73.5 m-70 71.96 125.29 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.795 0.684 . . . . 73.51 111.428 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -113.49 15.12 19.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.539 0.685 . . . . 63.13 110.033 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -81.71 98.62 8.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.14 -0.936 . . . . 73.24 110.061 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -131.88 101.36 5.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.457 -0.572 . . . . 72.12 109.457 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -129.01 -1.69 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.09 0.471 . . . . 70.05 110.46 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -84.19 83.44 7.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.05 -0.523 . . . . 74.11 110.319 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -77.94 120.01 22.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.907 -0.588 . . . . 73.33 110.377 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 47.7 ttm -153.44 82.51 1.18 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.237 -0.653 . . . . 62.3 109.237 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 78.09 1.4 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.552 -0.749 . . . . 54.41 109.736 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -134.11 24.01 3.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.082 0.944 . . . . 64.32 108.636 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 35.8 p90 -104.51 122.78 42.57 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 114.936 -1.029 . . . . 61.11 110.53 -177.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 4.2 Cg_exo -77.6 135.12 14.29 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.784 2.323 . . . . 45.42 111.485 175.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.414 ' O ' ' HD1' ' A' ' 18' ' ' PHE . 28.4 m -69.66 122.6 86.33 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 71.14 109.896 177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -71.92 94.13 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.585 2.19 . . . . 75.15 111.805 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HD1' ' O ' ' A' ' 16' ' ' THR . 2.4 p90 -111.23 138.74 47.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.052 -0.522 . . . . 72.25 110.947 -176.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.45 48.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.095 -0.802 . . . . 41.22 111.095 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.65 106.83 0.75 Allowed Glycine 0 N--CA 1.45 -0.381 0 O-C-N 123.856 0.386 . . . . 60.02 113.153 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.8 p -164.35 148.21 9.5 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 122.674 0.39 . . . . 61.4 109.997 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.4 mt 68.03 154.0 0.1 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.681 0.613 . . . . 72.25 111.577 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.817 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 20.0 m-20 47.07 70.71 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.584 -0.734 . . . . 72.13 112.053 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -74.09 -31.66 62.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.395 -0.82 . . . . 63.4 111.112 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -94.35 1.33 55.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 74.33 111.567 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.817 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -94.02 175.3 6.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 116.102 -0.499 . . . . 73.52 111.084 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.1 mt -95.23 118.3 41.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 75.22 109.758 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.8 OUTLIER -109.14 179.27 4.21 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.985 -0.552 . . . . 54.13 110.459 -177.119 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.502 ' H ' HG22 ' A' ' 28' ' ' THR . 45.1 t -61.15 -29.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.25 -0.648 . . . . 73.2 109.25 170.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.85 -59.18 5.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 72.45 110.506 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 93' ' ' LYS . 19.5 mp0 -54.17 -46.16 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.542 . . . . 70.12 110.473 177.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.35 -38.07 89.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.346 -0.843 . . . . 71.43 111.05 -175.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.47 -43.1 60.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.333 -0.394 . . . . 43.12 111.046 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 46.1 mmtm -67.26 -32.19 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.439 . . . . 73.13 110.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 34.8 t-80 -57.99 -55.35 36.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.092 -0.958 . . . . 74.22 110.758 173.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.97 -55.33 6.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.443 -0.799 . . . . 63.4 112.901 -170.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -63.89 -42.81 97.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.482 0.549 . . . . 75.03 112.482 -172.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.0 mt-30 -73.95 -38.64 64.18 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.708 -0.397 . . . . 73.1 110.983 -176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 6.0 t80 -63.17 -41.77 99.28 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.72 -0.474 . . . . 72.33 109.72 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -60.79 -32.05 71.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.524 -0.762 . . . . 64.21 110.487 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.8 m -76.31 -22.32 55.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.634 . . . . 44.44 111.644 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HD1' ' A' ' 57' ' ' PHE . 97.8 mt -79.37 -10.43 59.81 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.7 0.286 . . . . 64.53 110.754 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 8.5 mtmp? 66.33 74.13 0.37 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.562 -0.744 . . . . 75.44 110.379 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.512 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 18.6 Cg_endo -60.43 139.91 88.87 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.719 2.279 . . . . 64.03 111.6 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.5 mt -73.39 -75.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.782 0.325 . . . . 74.21 110.368 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -113.93 32.68 5.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.311 0.577 . . . . 54.25 110.744 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.85 -9.14 55.05 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.769 -0.729 . . . . 75.34 111.961 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -140.1 167.68 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.817 0.341 . . . . 71.44 110.294 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.587 ' HB ' ' HB2' ' A' ' 53' ' ' GLN . 30.1 pt -118.23 -172.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.949 -0.76 . . . . 75.04 108.949 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.712 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.2 m -131.19 -174.11 3.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.99 -0.374 . . . . 74.05 109.99 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.712 ' H ' HG22 ' A' ' 50' ' ' THR . . . -53.05 -36.05 50.65 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 114.227 0.451 . . . . 64.35 114.227 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.36 -45.31 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.948 0.374 . . . . 74.03 111.013 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.587 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 13.1 mm-40 -74.28 -29.03 61.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.408 -0.36 . . . . 74.15 110.56 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -42.42 98.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.144 0.497 . . . . 74.0 109.944 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.537 ' HD2' ' HE1' ' A' ' 58' ' ' PHE . 14.1 tpt180 -56.85 -50.47 72.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.353 -0.839 . . . . 54.11 110.495 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -59.81 -37.74 80.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.631 -0.713 . . . . 53.15 111.099 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 42' ' ' LEU . 74.7 t80 -55.07 -52.68 62.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 72.55 112.127 -176.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' HE1' ' HD2' ' A' ' 55' ' ' ARG . 2.9 p90 -86.99 -20.71 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.046 -0.662 . . . . 75.51 111.831 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -66.61 -37.63 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 74.2 110.908 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 57' ' ' PHE . 29.6 pt20 -69.2 -9.2 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.382 -0.372 . . . . 53.35 111.683 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.2 t -80.35 -18.48 48.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 42.5 110.82 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.06 24.15 38.58 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.687 -0.768 . . . . 71.31 112.958 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG23 ' A' ' 95' ' ' ILE . 23.8 mt -91.96 150.39 40.52 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.784 0.292 . . . . 75.42 110.313 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.501 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 44.7 Cg_exo -57.84 149.52 68.88 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.913 2.409 . . . . 65.44 112.873 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.1 mp0 -53.94 -50.64 82.92 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.392 -0.822 . . . . 72.12 112.591 -177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 41.5 Cg_exo -57.85 -36.9 98.01 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 121.927 1.751 . . . . 52.05 112.236 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.702 HG13 ' HD3' ' A' ' 98' ' ' LYS . 95.6 t -66.97 -41.55 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 63.24 110.267 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 79.9 mt -62.67 -47.68 82.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.729 -0.669 . . . . 74.41 110.484 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.12 71.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.395 -0.82 . . . . 51.32 111.164 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 74' ' ' LEU . 1.4 mm100 -67.02 -41.21 87.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 55.14 111.233 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 95' ' ' ILE . 52.5 mt -62.05 -44.65 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 62.13 110.813 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.558 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 21.3 t90 -67.52 -47.62 69.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.389 -0.369 . . . . 73.21 110.819 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.08 -27.8 69.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 121.144 0.497 . . . . 73.53 110.966 -178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -76.69 -32.68 58.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.727 -0.67 . . . . 64.21 111.111 176.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 91' ' ' ALA . . . -62.93 -64.89 0.78 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.021 -0.536 . . . . 61.32 111.958 -172.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 4.7 p30 -85.84 99.85 11.66 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.946 0.879 . . . . 73.15 109.783 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.412 ' HG3' HD12 ' A' ' 108' ' ' LEU . 55.0 mtm -47.56 -30.07 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.305 -1.316 . . . . 71.54 112.805 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -90.19 -10.41 44.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.661 0.267 . . . . 75.24 110.941 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER 58.87 75.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.815 -1.18 . . . . 65.52 107.815 -166.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.595 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 28.4 t70 -84.22 -38.73 20.18 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.922 -1.036 . . . . 72.14 109.349 -174.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.558 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.54 -4.75 82.44 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.603 -0.726 . . . . 64.02 112.607 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -108.12 -42.14 4.73 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.009 -0.277 . . . . 73.24 111.064 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.1 ttm 62.55 94.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.377 -0.828 . . . . 70.4 111.652 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -85.07 177.7 7.81 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.744 -0.836 . . . . 73.43 108.744 172.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -50.62 -34.81 27.54 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.398 0.518 . . . . 74.4 112.398 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.45 -57.09 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.998 -0.281 . . . . 72.13 110.788 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 1.9 mp0 -61.81 -33.31 73.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.275 0.559 . . . . 73.55 110.306 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.56 -46.01 84.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.819 -0.628 . . . . 73.44 110.429 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.0 m -65.42 -26.66 68.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.791 -0.64 . . . . 50.01 111.623 -175.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 108' ' ' LEU . 12.5 tt -92.68 -6.6 10.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 74.31 111.075 -176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -108.56 -28.94 9.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 53.34 111.422 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' A' ' 35' ' ' HIS . 26.6 ptt? -56.61 -35.87 68.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 65.2 112.68 -173.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HB3' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -97.82 -5.64 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.265 -0.574 . . . . 71.4 111.433 -177.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 71' ' ' ILE . 21.4 tp -64.92 -36.43 84.34 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.848 -0.797 . . . . 74.54 108.848 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 71' ' ' ILE . 36.8 mt -54.52 -42.62 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.149 -1.387 . . . . 74.53 110.65 176.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.03 -44.15 97.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 75.22 110.741 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.56 -26.7 64.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 75.32 111.247 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.702 ' HD3' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -75.37 -34.0 61.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.499 -0.319 . . . . 64.05 110.315 176.322 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.51 -29.3 66.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.623 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.05 -11.35 59.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 64.22 111.537 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.09 40.55 16.19 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.832 -0.699 . . . . 62.4 112.765 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -96.42 178.07 5.48 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.032 -0.358 . . . . 75.51 110.032 174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' O ' ' HD3' ' A' ' 105' ' ' PRO . 26.9 mt-30 -61.67 159.76 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.472 0.653 . . . . 71.33 112.006 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -113.86 86.18 10.69 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.425 -0.807 . . . . 71.43 110.125 175.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 103' ' ' GLN . 4.8 Cg_exo -74.07 177.3 8.38 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.983 2.455 . . . . 50.23 112.936 -174.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.0 p -122.96 -1.03 8.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.568 0.699 . . . . 71.13 110.493 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -120.98 143.12 49.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.955 -1.02 . . . . 53.45 110.344 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.847 HD13 HD13 ' A' ' 90' ' ' ILE . 87.9 mt -87.16 147.74 43.29 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.203 -0.453 . . . . 63.23 111.006 -178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 9.3 Cg_exo -72.17 151.99 55.72 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.531 2.154 . . . . 71.22 111.835 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 7.6 Cg_exo -74.34 -11.79 22.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.947 2.431 . . . . 74.21 112.687 -176.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 t -82.91 -31.37 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.71 -0.677 . . . . 63.33 111.371 -175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 90' ' ' ILE . 47.9 mtp -75.06 -29.27 60.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.922 0.391 . . . . 64.12 110.986 -177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -82.06 -16.25 50.73 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.442 -0.577 . . . . 75.12 109.442 174.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 66.3 -96.02 0.04 OUTLIER 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.155 -0.93 . . . . 75.32 112.125 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 35.9 tt0 -52.62 134.51 45.12 Favored Pre-proline 0 C--N 1.311 -1.108 0 CA-C-N 114.376 -1.284 . . . . 75.15 111.961 -175.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 115' ' ' GLN . 1.1 Cg_endo -80.21 122.02 4.56 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.812 2.342 . . . . 53.5 111.196 174.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.7 m -98.04 132.26 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.93 -0.577 . . . . 71.44 110.629 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -84.44 63.25 7.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.406 0.622 . . . . 61.54 111.098 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.7 tt -142.69 109.49 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.535 -0.757 . . . . 70.13 109.961 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -146.54 162.08 39.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.749 -0.66 . . . . 63.13 110.175 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.945 -0.55 . . . . 73.12 111.185 -179.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.0 -0.37 . . . . 74.42 110.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.28 -82.9 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.889 -0.672 . . . . 74.5 111.636 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m170 43.11 75.8 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.563 0.745 . . . . 72.13 112.451 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -132.12 130.02 40.64 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.285 -0.87 . . . . 62.02 110.011 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -128.34 120.27 26.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.821 -0.627 . . . . 71.42 110.601 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -113.72 108.15 16.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.703 -0.681 . . . . 74.32 110.307 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -83.65 114.51 21.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.455 -0.339 . . . . 74.44 110.099 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -151.78 98.73 2.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.097 0.475 . . . . 75.42 111.38 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 t -90.27 165.01 14.16 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.122 -1.066 . . . . 74.11 108.122 168.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -105.84 111.1 23.63 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.448 -0.501 . . . . 72.35 109.981 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -64.48 105.35 0.93 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 71.22 110.168 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.55 83.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.599 -0.728 . . . . 63.03 111.781 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -100.98 87.7 3.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 71.1 110.417 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -115.32 104.37 53.56 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.771 -0.649 . . . . 64.52 109.564 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -77.12 127.4 9.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.568 2.179 . . . . 70.02 112.434 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.8 p -130.3 104.93 16.24 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 115.401 -0.818 . . . . 71.33 110.384 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -84.0 -178.24 3.43 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 122.793 2.329 . . . . 74.2 111.384 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -114.08 95.45 5.3 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.966 -0.561 . . . . 71.02 111.491 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.69 -81.5 1.46 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.258 -1.137 . . . . 72.02 110.258 170.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.64 13.29 68.38 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.375 -0.44 . . . . 54.14 113.719 172.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -107.8 24.81 12.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.046 -0.353 . . . . 75.24 110.046 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tt 60.18 97.6 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.316 1.055 . . . . 74.53 108.371 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.75 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 25.2 m-20 -78.76 91.18 4.68 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-N 113.866 -1.515 . . . . 73.04 111.501 -167.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -110.81 -34.02 6.37 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.188 -0.915 . . . . 74.32 109.534 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.46 -16.03 53.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.693 -0.685 . . . . 74.25 110.259 175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.75 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . . . -79.23 162.72 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 64.11 110.875 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.5 mt -97.46 83.93 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.397 0.618 . . . . 61.21 110.563 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -67.94 163.85 21.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.49 -0.777 . . . . 72.4 109.193 174.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 13.2 p -55.37 -35.02 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 121.139 0.495 . . . . 54.43 110.719 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.78 -38.67 89.66 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.706 -0.679 . . . . 73.41 110.712 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 15.3 mm-40 -73.64 -30.46 62.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 43.23 110.617 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -57.03 -47.79 80.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.349 -0.611 . . . . 74.02 109.349 170.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -16.25 47.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.546 -0.752 . . . . 63.01 112.237 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 30.0 mmtm -60.42 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.734 0.302 . . . . 65.53 110.92 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 92' ' ' MET . 12.0 p-80 -76.87 -29.13 55.67 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.68 -0.408 . . . . 71.4 111.654 -172.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.46 -44.46 71.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.75 0.31 . . . . 51.23 110.594 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -77.01 -54.85 6.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.14 111.86 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.89 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.967 0.358 . . . . 52.13 111.967 -174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' HE1' HG23 ' A' ' 49' ' ' ILE . 17.1 t80 -64.01 -37.91 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.213 0.53 . . . . 64.12 110.268 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -70.87 -35.11 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.767 -0.651 . . . . 64.32 110.051 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 24.3 t -75.92 -18.85 59.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.998 -0.546 . . . . 75.43 111.35 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -83.0 4.03 27.65 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.682 0.277 . . . . 73.43 111.025 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 41' ' ' SER . 12.0 mptt 57.63 77.65 0.4 Allowed Pre-proline 0 N--CA 1.463 0.214 0 CA-C-N 116.035 -0.53 . . . . 71.53 111.081 -177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.418 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 39.5 Cg_endo -71.91 137.67 29.91 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.008 1.805 . . . . 62.34 111.654 175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.5 mm -93.79 110.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.025 -0.731 . . . . 54.53 109.025 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.0 m 68.65 -74.08 0.08 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.95 0.781 . . . . 72.22 110.609 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.63 31.66 0.17 Allowed Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 111.261 -0.736 . . . . 64.1 111.261 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.672 ' HA ' ' NE2' ' A' ' 85' ' ' GLN . 38.5 p90 -152.58 173.79 14.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.869 0.366 . . . . 63.1 111.042 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.515 HG23 ' HE1' ' A' ' 39' ' ' PHE . 22.0 pt -136.59 -169.11 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.392 -0.822 . . . . 55.5 109.711 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.5 t -147.85 167.88 23.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.998 -0.371 . . . . 73.42 109.998 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.92 -35.6 64.17 Favored Glycine 0 C--N 1.333 0.369 0 O-C-N 123.554 0.534 . . . . 60.3 112.521 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.22 -52.91 63.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.752 0.31 . . . . 65.44 111.293 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -34.65 78.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 55.21 110.543 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -55.5 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.938 -0.574 . . . . 72.14 110.777 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -63.91 -33.99 76.94 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.517 -0.31 . . . . 74.34 111.017 -177.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 25.7 t-20 -64.47 -49.56 70.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 64.22 110.566 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB2' HD21 ' A' ' 42' ' ' LEU . 61.8 t80 -62.55 -48.0 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 72.23 110.91 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.4 m-30 -57.48 -47.52 81.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 62.21 110.654 178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -65.08 -32.18 73.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 61.34 110.996 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -59.9 -27.63 66.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.612 -0.722 . . . . 71.05 111.662 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.769 ' HB2' HD11 ' A' ' 99' ' ' LEU . 96.5 p -73.35 -24.2 60.31 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.99 0.424 . . . . 71.44 110.827 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.15 -1.18 20.97 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.942 -0.647 . . . . 74.31 112.416 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 67' ' ' VAL . 95.9 mt -80.78 142.6 52.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 120.588 0.232 . . . . 75.35 110.392 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 4.4 Cg_exo -83.22 169.59 12.63 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.485 2.79 . . . . 72.41 112.856 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.528 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 23.2 mp0 -48.86 -50.48 61.27 Favored Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 113.343 0.868 . . . . 72.04 113.343 -176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 52.4 Cg_exo -57.38 -16.99 25.0 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 122.396 2.064 . . . . 72.13 113.297 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 63' ' ' LEU . 44.5 t -98.3 -35.55 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 72.43 110.473 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 58' ' ' PHE . 27.2 mt -62.16 -56.49 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.647 . . . . 70.43 110.722 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.26 71.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.538 -0.756 . . . . 73.44 110.491 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.489 ' NE2' HD12 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -66.1 -39.49 90.0 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.896 -0.593 . . . . 74.35 110.882 179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.1 mt -70.01 -44.17 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.037 0.446 . . . . 62.43 110.154 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.49 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 24.2 t90 -62.37 -49.54 75.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 74.51 111.074 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.03 69.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.765 0.317 . . . . 64.22 111.193 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 0.5 OUTLIER -73.85 -47.68 36.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.106 -0.497 . . . . 74.52 111.04 179.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -82.59 -30.15 29.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 64.32 112.467 -172.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 79' ' ' ASN . 41.0 t0 -77.31 85.85 3.73 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.563 -0.532 . . . . 73.43 109.563 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -51.43 -53.16 39.74 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.29 0.848 . . . . 65.34 113.29 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -91.85 -6.76 51.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.975 0.417 . . . . 75.41 110.575 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.608 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.2 t-20 54.9 71.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.011 0.91 . . . . 62.43 109.8 -173.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 3.8 t70 -78.38 -26.4 46.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.414 -1.266 . . . . 70.22 110.003 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.49 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 98.72 -23.09 37.76 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.657 -0.782 . . . . 63.44 111.44 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -111.56 -29.2 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.253 -0.647 . . . . 74.41 109.253 175.006 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.8 ttp 69.48 107.98 0.06 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.511 1.132 . . . . 74.12 110.671 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 25.5 t70 -67.37 160.87 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 70.21 110.416 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.672 ' NE2' ' HA ' ' A' ' 48' ' ' PHE . 18.9 mm-40 -60.1 -28.7 68.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.052 -0.522 . . . . 64.24 112.175 -172.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 89' ' ' SER . 61.8 t -70.24 -48.3 62.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.819 0.343 . . . . 52.21 110.272 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 90' ' ' ILE . 13.1 mp0 -63.04 -41.18 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 73.43 110.33 175.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.83 -28.98 69.22 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.769 -0.65 . . . . 73.31 111.13 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 86' ' ' VAL . 60.7 m -62.11 -34.2 75.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.24 112.06 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.941 HD11 ' HB3' ' A' ' 112' ' ' MET . 15.2 tt -81.78 -20.72 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 120.996 0.427 . . . . 74.24 111.03 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -78.88 -16.25 57.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 75.43 111.2 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.57 ' HA ' ' CE ' ' A' ' 92' ' ' MET . 2.8 mmt -58.93 -42.0 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.823 -0.626 . . . . 51.45 112.033 -175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.454 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -78.47 -31.56 47.96 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.631 -0.428 . . . . 74.34 110.872 -178.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.619 HD21 HD13 ' A' ' 74' ' ' LEU . 2.0 mp -58.84 -44.76 91.04 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 112.226 0.454 . . . . 71.14 112.226 -173.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 58' ' ' PHE . 45.0 mt -57.92 -53.82 40.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.929 -0.578 . . . . 75.14 110.637 -175.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 12.0 mmtt -71.04 -28.98 64.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 65.14 111.072 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.672 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 14.0 tp -73.67 -36.73 65.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.628 0.252 . . . . 71.32 110.442 -176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 102' ' ' TYR . 8.8 mtpm? -71.68 -33.11 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.869 -0.333 . . . . 73.11 110.363 177.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 61' ' ' SER . 90.1 mt -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 44.14 110.445 175.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 80.4 mt-30 -78.69 -20.19 50.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.893 -0.594 . . . . 71.24 111.185 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 127.72 -11.73 6.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.234 -0.984 . . . . 75.13 113.445 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.672 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 95.2 m-85 -80.93 156.8 25.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.138 0.469 . . . . 75.12 110.477 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -173.36 134.52 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.081 -173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.5 mt -139.56 161.96 53.9 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 61.22 109.873 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -69.01 -168.41 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.915 2.41 . . . . 71.45 112.278 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.651 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 29.1 m -73.79 -3.24 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 33.34 111.272 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.9 97.8 8.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.11 -0.496 . . . . 61.14 110.46 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.423 HD23 HD22 ' A' ' 74' ' ' LEU . 1.9 pp -83.4 151.77 63.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 72.11 110.499 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.49 153.76 72.77 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.639 2.226 . . . . 64.02 112.43 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.9 -23.19 76.46 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.109 2.539 . . . . 74.21 112.472 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.26 -26.72 36.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.544 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.941 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -71.77 -49.09 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 62.54 111.439 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -21.95 50.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.755 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.03 -167.1 0.21 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.386 -0.825 . . . . 61.54 109.972 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -141.52 70.72 26.14 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-O 121.191 0.52 . . . . 71.24 109.689 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -90.1 82.45 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 123.154 2.569 . . . . 64.25 111.447 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.4 p -81.51 141.46 15.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.619 0.724 . . . . 43.41 111.129 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.23 -43.66 1.93 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.694 -1.139 . . . . 64.14 109.514 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.0 tt -146.4 135.92 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.441 -0.8 . . . . 62.31 109.317 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m -83.11 -47.33 11.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.983 0.421 . . . . 74.33 110.226 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.252 1.236 0 CA-C-O 118.315 -0.85 . . . . 71.15 110.009 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.255 -0.276 . . . . 73.14 110.255 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.76 -78.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.62 -0.8 . . . . 53.33 111.383 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -126.26 104.84 8.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.56 0.695 . . . . 65.12 110.869 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -117.76 95.99 5.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.007 -0.997 . . . . 73.51 109.505 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.426 ' HA ' ' OG ' ' A' ' 46' ' ' SER . 21.0 p-80 -90.5 126.82 36.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.405 0.621 . . . . 54.23 110.884 -176.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -160.22 26.97 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.244 -0.889 . . . . 72.44 108.628 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 46' ' ' SER . 2.1 p-80 -75.84 155.76 35.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.535 0.683 . . . . 71.33 111.978 -170.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -129.02 96.72 4.41 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.895 -1.048 . . . . 73.35 108.744 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 p -77.32 81.83 3.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.874 -0.603 . . . . 72.34 110.452 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -130.96 136.24 48.37 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.203 -0.908 . . . . 75.0 109.066 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.8 mtt -54.11 129.28 34.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.503 0.502 . . . . 71.3 110.576 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.02 73.19 1.49 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.93 -0.577 . . . . 55.31 110.266 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.521 ' HA ' ' HG3' ' A' ' 37' ' ' GLN . 94.5 mt-30 -142.15 101.42 3.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.781 -0.645 . . . . 74.1 110.591 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -127.67 95.85 34.12 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 73.13 109.179 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.85 119.33 6.5 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.799 2.333 . . . . 65.32 112.94 -174.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -138.31 85.6 18.1 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 114.949 -1.023 . . . . 65.31 109.998 175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -87.17 173.73 5.6 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.785 2.99 . . . . 63.2 111.735 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 59.63 88.23 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.842 0.714 . . . . 72.1 111.039 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.68 -92.7 0.05 OUTLIER Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.938 -0.648 . . . . 65.41 112.739 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.26 179.52 43.18 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.474 -0.87 . . . . 75.21 112.139 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -118.88 17.31 13.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.255 0.55 . . . . 75.32 110.119 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 tp -155.9 141.99 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.652 -0.703 . . . . 74.33 110.198 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t70 65.74 30.37 10.25 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 122.032 0.92 . . . . 73.11 110.084 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 m -72.85 -27.17 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.855 -1.066 . . . . 70.34 111.364 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.752 ' HH2' HD11 ' A' ' 104' ' ' LEU . 92.2 m95 -73.76 -17.54 61.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.114 0.483 . . . . 71.13 110.999 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.56 143.69 42.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.768 -0.651 . . . . 74.31 111.04 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.473 HG12 ' HE3' ' A' ' 93' ' ' LYS . 47.3 mt -110.25 91.16 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.306 0.574 . . . . 74.03 109.506 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -87.22 176.53 7.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.421 -0.809 . . . . 62.22 110.371 -179.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.942 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 47.4 t -55.29 -37.47 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 75.41 111.17 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 14.4 mp0 -61.12 -47.14 87.65 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.437 -0.208 . . . . 72.14 110.437 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -68.09 -32.89 73.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.436 -0.347 . . . . 40.45 111.154 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.942 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -72.3 -42.65 65.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.635 -0.426 . . . . 72.51 109.853 178.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.565 ' N ' ' HG3' ' A' ' 32' ' ' ARG . . . -66.93 -39.3 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.806 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 30' ' ' GLU . 11.6 tmtt? -57.37 -46.13 83.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.758 -0.655 . . . . 73.05 110.709 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 7.5 p-80 -77.85 -28.35 50.07 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.487 -0.485 . . . . 61.23 110.843 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.05 -45.14 93.65 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.157 0.503 . . . . 71.04 110.017 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 13' ' ' GLN . 23.7 tt0 -57.47 -44.4 84.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.531 -0.759 . . . . 61.03 110.521 176.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 35' ' ' HIS . 18.5 mt-30 -73.18 -28.07 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.529 -0.76 . . . . 75.31 111.202 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -34.82 79.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.86 -0.793 . . . . 74.23 108.86 175.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.89 -37.16 86.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.321 -0.854 . . . . 64.14 110.224 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.1 m -75.19 -16.45 60.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 74.34 111.89 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 42' ' ' LEU . 2.7 tt -69.66 -21.66 63.52 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.036 -0.727 . . . . 73.45 109.036 174.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mppt? 63.94 75.95 0.36 Allowed Pre-proline 0 N--CA 1.465 0.309 0 CA-C-N 115.027 -0.988 . . . . 73.35 110.645 -172.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.33 139.17 53.66 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.477 2.118 . . . . 73.42 111.368 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.57 -54.62 26.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 62.22 110.605 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 5' ' ' HIS . 1.4 t -156.16 50.32 0.52 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.909 -0.587 . . . . 73.12 109.557 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 6.8 68.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.646 -0.788 . . . . 74.42 112.267 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -143.37 165.65 26.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.786 -0.449 . . . . 71.33 109.786 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.31 175.45 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.107 -0.497 . . . . 72.03 109.923 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.645 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 11.5 p -133.35 -177.07 4.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 75.34 110.451 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.16 -37.16 93.5 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.146 -0.55 . . . . 73.41 112.523 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.64 -35.66 73.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.048 0.452 . . . . 72.54 110.27 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.645 ' HB2' ' H ' ' A' ' 50' ' ' THR . 2.8 mp0 -67.46 -40.16 85.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 73.34 110.43 176.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' O ' ' HD1' ' A' ' 58' ' ' PHE . . . -64.41 -46.29 83.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 71.33 109.765 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -51.07 -49.82 59.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.414 -0.812 . . . . 72.41 110.936 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -64.04 -38.53 91.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.018 -0.537 . . . . 72.22 111.108 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.52 -51.46 59.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.576 -0.283 . . . . 64.4 110.924 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' HD1' ' O ' ' A' ' 54' ' ' ALA . 29.8 m-85 -60.43 -40.29 90.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.359 -0.382 . . . . 72.23 111.308 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -65.79 -31.17 72.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.284 0.564 . . . . 74.12 110.721 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.18 5.39 12.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.762 -0.654 . . . . 71.12 111.619 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -85.89 -46.96 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.911 -0.493 . . . . 72.35 111.104 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.76 -3.61 29.02 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.932 -0.651 . . . . 44.25 111.806 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.86 150.27 58.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.432 -0.21 . . . . 64.54 110.432 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 67' ' ' VAL . 24.3 Cg_endo -64.13 153.57 75.55 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.332 2.022 . . . . 71.5 111.873 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -58.62 -45.08 99.68 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.825 0.676 . . . . 73.43 112.825 -174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 64' ' ' PRO . 81.3 Cg_exo -51.67 -41.07 63.39 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 121.848 1.699 . . . . 73.1 112.218 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG13 ' HE2' ' A' ' 98' ' ' LYS . 56.0 t -70.15 -40.79 78.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 74.35 110.62 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.21 -45.82 92.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.9 -0.591 . . . . 74.2 110.736 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.24 75.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.68 . . . . 65.43 111.168 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -46.38 85.12 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.3 -0.63 . . . . 64.43 109.3 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 95' ' ' ILE . 96.9 mt -65.67 -42.89 93.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.764 -0.653 . . . . 75.42 110.67 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.4 t90 -64.64 -43.99 91.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.226 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.75 -27.84 68.59 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 75.03 110.636 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.86 HD22 ' HG ' ' A' ' 108' ' ' LEU . 2.3 mt -76.39 -48.4 19.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.56 -0.746 . . . . 75.02 111.106 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -72.25 -44.25 63.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 74.12 112.057 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.699 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 19.9 t0 -76.81 77.85 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.485 -0.931 . . . . 74.04 108.485 178.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.8 mtm -67.86 -45.88 73.33 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.053 -0.976 . . . . 72.1 111.676 -170.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -76.38 -12.57 60.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.607 -0.516 . . . . 62.35 109.607 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.699 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 47.23 71.26 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.3 -1.318 . . . . 73.13 112.085 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -91.92 -21.9 20.33 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.553 -0.749 . . . . 73.55 109.85 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.81 -6.13 73.34 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.876 -0.678 . . . . 63.13 112.612 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.76 -18.68 13.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.822 -0.222 . . . . 75.13 111.433 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 87' ' ' GLU . 48.0 ttm 61.18 101.14 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.678 0.752 . . . . 62.24 111.975 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 17.5 t70 -73.14 168.09 19.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.706 -0.679 . . . . 63.43 109.614 176.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.26 -24.83 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.714 -0.221 . . . . 74.14 110.75 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.53 -43.98 77.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.009 0.433 . . . . 71.32 109.97 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 5.0 mm-40 -68.54 -37.74 80.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 73.12 109.941 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -70.31 -28.66 65.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.0 -0.546 . . . . 74.35 110.843 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.3 t -59.18 -32.68 70.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 63.32 110.839 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.8 tt -96.65 -12.86 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 64.23 110.504 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -76.77 -36.66 56.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.992 -0.549 . . . . 64.4 112.101 -174.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -27.22 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 75.32 110.772 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HE3' HG12 ' A' ' 27' ' ' ILE . 51.5 mmtt -59.83 -48.8 80.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 70.41 110.403 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.487 HD11 ' HG ' ' A' ' 104' ' ' LEU . 1.3 mp -69.24 -39.65 78.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 74.13 112.191 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 71' ' ' ILE . 38.0 mm -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.112 0.482 . . . . 70.4 110.264 -177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -71.38 -38.76 71.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.695 -0.684 . . . . 73.5 110.3 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.4 tp -66.59 -41.55 88.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 75.42 111.459 -175.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HE2' HG13 ' A' ' 67' ' ' VAL . 25.6 mtpp -71.62 -27.33 63.03 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.59 -0.444 . . . . 64.51 111.348 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.76 -34.62 74.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.984 0.421 . . . . 74.3 110.588 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -75.47 -25.96 57.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.061 0.458 . . . . 75.22 110.535 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.12 45.75 0.67 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.538 -0.839 . . . . 63.34 113.344 176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.473 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 47.7 m-85 -110.22 159.09 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.037 0.446 . . . . 65.22 110.718 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' C ' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -116.08 145.45 43.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.455 -0.793 . . . . 65.04 111.362 -178.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.752 HD11 ' HH2' ' A' ' 25' ' ' TRP . 3.0 mm? -132.14 145.19 56.32 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.979 -0.555 . . . . 74.31 111.101 -177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' O ' HD11 ' A' ' 74' ' ' LEU . 86.2 Cg_endo -87.61 -164.41 0.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.12 2.547 . . . . 61.31 111.674 172.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.6 m -92.89 10.33 31.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.297 0.57 . . . . 44.14 110.918 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.7 114.51 8.52 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 71.03 110.725 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.86 ' HG ' HD22 ' A' ' 74' ' ' LEU . 71.8 mt -84.95 156.7 60.68 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.514 -0.312 . . . . 74.53 110.806 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.89 153.56 43.44 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.916 2.411 . . . . 74.54 112.686 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.9 -22.04 27.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 53.13 113.076 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.1 -36.47 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 72.14 111.698 -175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 59.8 mtp -70.79 -26.61 63.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 73.4 111.399 -173.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -107.32 -21.21 13.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.106 -0.497 . . . . 63.42 111.28 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 61.18 -169.34 0.17 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.548 -0.751 . . . . 75.55 109.789 -171.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 52.6 tt0 -84.95 136.81 38.18 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.826 -0.805 . . . . 71.12 108.826 170.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 115' ' ' GLN . 11.8 Cg_exo -69.03 68.37 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.737 2.291 . . . . 71.23 111.492 176.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.1 m -76.25 104.44 4.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.415 -0.811 . . . . 71.3 111.707 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 119' ' ' ILE . . . -138.91 16.81 2.66 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.788 -1.097 . . . . 71.43 109.716 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 118' ' ' ALA . 36.9 mm 71.88 -54.1 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.885 -1.052 . . . . 74.24 111.511 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 m -74.39 99.66 3.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.355 0.598 . . . . 54.12 110.746 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.5 m . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.433 -0.803 . . . . 52.42 108.929 179.667 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.192 -0.299 . . . . 63.14 110.192 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.36 73.42 1.08 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.801 -0.714 . . . . 64.32 111.664 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -135.34 99.11 4.14 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.677 -0.49 . . . . 74.31 109.677 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -65.58 125.21 24.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.21 0.529 . . . . 74.31 110.807 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -134.41 118.55 17.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.713 -0.676 . . . . 71.54 110.953 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -146.95 141.7 26.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.533 -0.758 . . . . 75.23 109.885 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -113.96 111.4 21.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.111 0.482 . . . . 74.21 110.258 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -85.96 145.71 27.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 75.24 110.536 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 t -152.4 127.68 9.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.99 -0.55 . . . . 72.35 110.337 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -142.09 71.98 1.37 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.822 -0.807 . . . . 63.11 108.822 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.3 ptm -95.9 113.11 24.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.485 -0.78 . . . . 64.22 110.792 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.96 100.54 4.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.727 -0.67 . . . . 51.02 110.064 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -109.61 143.26 39.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.501 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -127.09 90.76 48.48 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.048 -0.723 . . . . 62.41 109.048 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.7 139.1 22.18 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.052 2.502 . . . . 72.44 112.285 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -74.53 137.56 74.33 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.016 -0.538 . . . . 72.11 110.41 176.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 22.1 Cg_exo -65.33 -178.11 0.79 Allowed 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.724 2.283 . . . . 71.15 111.58 174.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.74 129.86 51.28 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.924 -0.58 . . . . 74.13 111.409 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.93 56.0 0.73 Allowed Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.917 -0.873 . . . . 74.31 110.917 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.96 80.68 1.77 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.906 -0.664 . . . . 73.14 112.951 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -96.54 85.8 3.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.251 0.548 . . . . 73.12 110.03 174.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB3' ' H ' ' A' ' 23' ' ' ASP . 7.2 mp -127.4 -153.54 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.677 -0.692 . . . . 74.54 109.884 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.8 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 5.4 p-10 45.24 89.21 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.49 1.116 . . . . 54.14 113.371 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.8 m -104.68 -32.52 8.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.914 -1.039 . . . . 72.31 110.08 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -106.09 14.29 27.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.596 -0.729 . . . . 75.35 110.926 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.8 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -103.2 173.25 6.39 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 114.841 -1.072 . . . . 73.23 109.905 172.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -86.5 92.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.236 0.541 . . . . 65.05 110.094 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -70.59 162.44 28.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.151 -0.932 . . . . 63.15 109.837 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.9 t -49.96 -47.21 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 122.389 0.276 . . . . 64.44 111.221 177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -59.08 -51.26 70.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.446 -0.343 . . . . 42.33 111.171 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.67 -42.42 78.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.349 0.595 . . . . 70.13 110.2 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 1.1 tmt_? -58.74 -41.61 86.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.344 -0.844 . . . . 72.14 110.022 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.02 -31.48 50.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.885 0.374 . . . . 52.13 111.297 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -59.02 -40.65 85.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 71.43 112.537 -175.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -57.56 -32.4 67.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.806 0.336 . . . . 71.53 111.39 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.22 -49.29 67.76 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 72.14 111.138 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -73.79 -31.35 63.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.911 -0.586 . . . . 71.3 111.168 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 13.8 mm100 -64.88 -40.64 95.43 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.529 -0.545 . . . . 72.1 109.529 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HE1' HD12 ' A' ' 49' ' ' ILE . 32.7 t80 -67.4 -35.82 80.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.795 -0.639 . . . . 72.04 110.092 177.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.85 -41.96 97.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.713 -0.676 . . . . 73.31 109.919 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 t -75.27 -17.88 60.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.035 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.684 HD13 HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -64.9 -21.02 66.74 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.074 0.464 . . . . 63.31 109.808 178.151 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 mttm 66.18 66.78 0.74 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.185 -0.916 . . . . 72.4 110.83 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.46 133.82 27.08 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 121.955 1.77 . . . . 72.31 111.237 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.5 mt -76.65 -65.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.989 -0.55 . . . . 74.41 110.734 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -101.38 22.88 11.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.205 0.526 . . . . 74.41 110.975 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.33 -2.78 71.55 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.032 -0.827 . . . . 62.45 111.032 -174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -126.31 169.64 12.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.489 -0.56 . . . . 73.04 109.489 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.684 HG21 HD13 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -128.8 -176.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.801 -0.444 . . . . 74.43 109.801 178.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 t -149.46 -177.88 6.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.529 -0.545 . . . . 74.1 109.529 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.58 -46.26 94.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.44 -0.409 . . . . 71.34 112.696 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.38 -36.34 83.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.705 0.288 . . . . 74.34 111.331 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HB2' ' H ' ' A' ' 50' ' ' THR . 14.4 mm100 -64.91 -46.38 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.558 0.218 . . . . 75.3 110.566 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.74 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.324 0.583 . . . . 53.21 110.242 175.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -52.58 -42.5 64.55 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.907 -1.042 . . . . 74.14 111.483 178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -75.77 -48.66 20.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.296 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 42' ' ' LEU . 78.4 t80 -58.26 -47.14 84.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.538 -0.301 . . . . 72.35 111.748 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.961 ' HB3' HD22 ' A' ' 68' ' ' LEU . 3.6 m-85 -59.66 -42.31 92.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.988 0.423 . . . . 72.43 110.444 -178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -70.92 -34.9 71.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.218 0.532 . . . . 71.21 110.347 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -22.45 64.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.759 . . . . 73.33 110.56 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.9 m -70.23 -18.99 63.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.046 -0.524 . . . . 52.42 111.093 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.19 21.88 9.67 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.559 -0.829 . . . . 41.41 112.859 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 99' ' ' LEU . 87.6 mt -111.57 143.79 29.26 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 110.413 -0.218 . . . . 74.44 110.413 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 22.4 Cg_exo -66.08 153.55 77.65 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.749 2.3 . . . . 72.01 111.929 176.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 28.0 tt0 -57.03 -46.45 99.87 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 113.091 0.774 . . . . 74.21 113.091 -175.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 12.4 Cg_endo -57.42 -24.35 60.33 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 122.053 1.835 . . . . 75.41 112.11 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.767 HG13 ' HE2' ' A' ' 98' ' ' LYS . 77.1 t -80.6 -38.86 17.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 74.3 109.952 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.961 HD22 ' HB3' ' A' ' 58' ' ' PHE . 53.3 mt -63.24 -50.58 69.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.264 -0.88 . . . . 73.43 111.086 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.79 65.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 61.5 111.822 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -67.51 -37.52 82.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.342 -0.39 . . . . 64.31 111.072 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.725 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.8 mt -69.49 -47.38 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.967 0.413 . . . . 74.53 109.903 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.439 ' HD1' ' SD ' ' A' ' 83' ' ' MET . 22.1 t90 -62.04 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.275 -0.875 . . . . 73.54 111.278 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.19 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 62.42 111.308 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.768 HD13 HD23 ' A' ' 108' ' ' LEU . 23.3 mt -84.73 -31.34 24.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.7 -0.682 . . . . 64.33 111.682 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -63.96 -59.15 4.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.214 -0.903 . . . . 41.12 112.536 -172.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.86 ' HB3' ' HG2' ' A' ' 83' ' ' MET . 39.1 p-10 -78.06 95.44 4.87 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 122.108 0.956 . . . . 72.32 110.303 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.4 mtm -59.83 -30.26 68.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.895 -1.048 . . . . 54.32 111.011 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -84.89 -11.96 54.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.839 0.352 . . . . 54.11 110.27 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.547 ' HA ' ' CG ' ' A' ' 76' ' ' ASP . 3.0 t-20 47.74 62.71 2.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.161 -0.927 . . . . 62.3 111.374 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.5 -17.53 17.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.935 -0.575 . . . . 63.15 110.53 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.3 4.8 66.05 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.679 -0.772 . . . . 64.42 113.313 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -121.06 -41.61 2.53 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 117.458 0.629 . . . . 71.31 110.733 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.86 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 62.4 mtm 69.73 130.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.226 0.954 . . . . 74.23 111.624 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -97.55 -178.62 4.19 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.168 -1.049 . . . . 63.4 108.168 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.23 -25.67 67.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.568 0.223 . . . . 60.23 110.616 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.22 -54.05 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 41.42 110.275 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 21.1 mp0 -65.36 -32.54 74.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.545 . . . . 53.25 110.671 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.58 -31.01 67.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.941 0.4 . . . . 71.23 110.822 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.3 t -64.15 -26.87 68.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.849 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.432 HD11 HD11 ' A' ' 108' ' ' LEU . 15.5 tt -96.5 -23.66 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.955 0.407 . . . . 71.41 110.264 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -70.62 -36.8 73.68 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.126 -0.488 . . . . 42.22 111.716 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -28.47 69.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.072 0.463 . . . . 63.04 110.823 -177.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -67.53 -42.74 82.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.756 -0.656 . . . . 74.44 109.467 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 71' ' ' ILE . 3.0 tp -69.67 -37.39 76.67 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.845 -0.616 . . . . 74.51 110.72 -179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ALA . 56.9 mt -59.51 -46.67 92.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.865 -0.42 . . . . 62.43 109.865 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.2 -48.53 81.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 74.11 111.289 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.67 -42.26 86.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.296 -0.411 . . . . 51.32 111.771 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.767 ' HE2' HG13 ' A' ' 67' ' ' VAL . 41.3 mtpt -73.39 -26.82 61.15 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.46 -0.496 . . . . 75.21 111.149 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.537 ' HA ' HD21 ' A' ' 63' ' ' LEU . 25.5 mt -61.19 -31.35 71.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.822 0.344 . . . . 74.33 110.562 171.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -76.64 -25.12 53.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.598 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 113.4 53.14 0.47 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 21.34 113.144 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -126.9 157.08 40.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.067 -0.346 . . . . 75.05 110.067 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.52 133.7 47.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.268 -0.424 . . . . 74.0 110.474 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 mp -131.63 144.7 54.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.503 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.565 ' O ' HD11 ' A' ' 74' ' ' LEU . 87.4 Cg_endo -86.36 -164.76 0.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.14 2.56 . . . . 75.34 111.466 173.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.664 ' HA ' HD21 ' A' ' 74' ' ' LEU . 19.4 m -72.64 -0.46 13.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 75.11 111.634 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.53 82.09 8.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.002 0.429 . . . . 73.13 110.674 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.768 HD23 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -75.77 139.46 70.22 Favored Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 108.831 -0.803 . . . . 51.14 108.831 177.045 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.576 ' HD2' HD13 ' A' ' 108' ' ' LEU . 34.5 Cg_exo -62.34 152.15 78.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.154 1.902 . . . . 64.44 112.489 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.29 -14.62 14.69 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.48 2.12 . . . . 64.3 112.227 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.89 -40.91 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.382 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 69.8 mmm -61.38 -43.43 98.88 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.044 0.45 . . . . 53.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 113' ' ' LYS . 9.7 ptmt -89.6 -13.94 36.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.688 -0.687 . . . . 63.44 110.922 -176.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 71.11 -22.64 0.18 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.172 0.989 . . . . 75.33 113.405 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 113' ' ' LYS . 26.6 tt0 -142.2 104.71 5.6 Favored Pre-proline 0 C--N 1.301 -1.523 0 CA-C-N 115.439 -0.8 . . . . 75.54 110.546 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.43 124.88 4.88 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.349 2.033 . . . . 73.51 111.033 173.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.9 m -72.26 108.79 3.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.563 0.697 . . . . 73.05 110.496 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.88 83.74 5.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.245 -0.889 . . . . 71.24 110.947 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.3 mt -87.41 -43.7 15.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.285 -0.635 . . . . 74.23 109.285 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.1 t -124.45 100.95 6.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.621 -0.718 . . . . 53.51 109.423 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.674 -0.679 . . . . 73.21 110.21 -179.585 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tmm? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.828 -0.434 . . . . 74.12 109.828 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.07 134.66 3.75 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.526 -0.845 . . . . 73.41 112.275 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -72.79 104.34 3.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.416 -0.587 . . . . 74.11 109.416 175.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -73.13 -56.86 4.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.349 -0.387 . . . . 71.24 109.979 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.564 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 5.9 p80 -104.51 127.55 52.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.452 0.644 . . . . 72.13 111.138 -176.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' ASN . 56.0 m80 -109.35 175.05 5.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.14 -0.936 . . . . 73.24 109.195 175.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -130.11 110.05 11.3 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.878 -0.329 . . . . 74.13 110.365 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -103.71 64.48 0.8 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.41 0.624 . . . . 74.42 109.708 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 82.9 7.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.497 -0.774 . . . . 61.12 111.345 -178.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.33 148.8 6.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.596 -0.729 . . . . 63.25 109.437 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -89.14 124.44 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.538 -0.301 . . . . 73.01 110.97 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.51 81.45 8.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.337 0.589 . . . . 71.15 110.264 176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -109.18 -2.34 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.764 -0.653 . . . . 62.23 110.747 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 96.7 m-85 -77.91 121.5 84.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 70.34 110.642 -177.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 1.3 Cg_endo -78.84 106.08 2.04 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.478 2.119 . . . . 71.55 111.649 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 18.4 p -96.87 122.06 57.71 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.456 -0.793 . . . . 65.31 110.724 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 23.5 Cg_exo -62.47 118.57 5.46 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.834 2.356 . . . . 64.44 111.855 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -69.62 152.05 45.2 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.506 -0.77 . . . . 63.02 110.769 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.03 -143.28 15.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.821 -0.704 . . . . 61.23 111.866 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.69 -83.17 0.48 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.0 -0.619 . . . . 41.31 112.538 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 m -94.87 38.4 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.924 -0.399 . . . . 72.43 109.924 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 38.4 tp 73.12 127.75 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.146 -0.934 . . . . 74.23 110.564 -175.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.81 24.06 1.57 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.403 -0.817 . . . . 72.2 112.489 -170.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.7 m -70.7 -32.92 70.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.406 0.622 . . . . 73.42 110.237 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.701 ' CH2' HD21 ' A' ' 104' ' ' LEU . 22.0 m95 -104.56 0.59 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.4 -0.818 . . . . 74.14 111.217 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.37 140.27 30.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.184 -0.916 . . . . 34.34 110.437 177.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.3 mt -75.47 100.24 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.182 0.515 . . . . 63.32 110.905 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.844 HG22 ' HG2' ' A' ' 31' ' ' GLU . 1.8 t -86.6 177.86 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.984 -0.553 . . . . 73.05 109.941 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.4 t -54.47 -51.86 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 122.28 0.232 . . . . 63.2 111.617 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.08 -41.73 93.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.536 -0.302 . . . . 70.4 110.781 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.844 ' HG2' HG22 ' A' ' 28' ' ' THR . 10.4 mm-40 -62.27 -43.07 99.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.38 0.609 . . . . 60.43 110.369 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -67.13 -32.54 73.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.7 -0.682 . . . . 73.03 110.685 -176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.65 -17.95 34.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.487 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' SD ' ' A' ' 92' ' ' MET . 46.2 tptt -59.51 -43.24 93.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 75.32 111.946 -173.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 11.0 p-80 -57.45 -34.66 69.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.431 -0.35 . . . . 75.32 111.864 -174.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.59 -45.46 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.162 0.506 . . . . 62.43 110.585 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -50.18 73.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.246 -0.888 . . . . 64.43 109.872 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.38 -43.22 95.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 74.42 111.32 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -58.27 -37.16 74.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.063 0.459 . . . . 63.3 110.543 -178.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -65.06 -41.32 95.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.846 -0.616 . . . . 74.24 110.443 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.4 t -77.48 -18.87 56.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.851 -0.613 . . . . 55.21 111.593 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.48 -0.76 15.96 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.407 0.521 . . . . 44.3 112.407 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 68.86 68.27 0.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.422 -0.808 . . . . 73.12 110.855 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.59 124.08 8.0 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.407 1.405 . . . . 73.5 111.403 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.38 -53.8 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.478 -0.783 . . . . 74.53 109.435 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -146.92 -46.9 0.18 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.272 -1.01 . . . . 74.4 108.272 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.06 37.22 0.33 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.186 -1.166 . . . . 73.14 110.186 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -139.97 156.74 46.5 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.396 -0.402 . . . . 62.13 110.68 -173.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.529 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -136.76 166.52 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.827 -0.805 . . . . 75.14 108.827 170.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.4 t -141.13 168.98 18.49 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.121 -0.231 . . . . 64.22 110.873 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.67 -34.57 82.58 Favored Glycine 0 C--N 1.334 0.453 0 O-C-N 123.359 0.412 . . . . 62.04 112.524 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.76 -53.06 61.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.721 0.296 . . . . 64.11 111.511 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -70.65 -31.23 68.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 73.44 110.331 -178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.96 -52.54 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 109.969 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.694 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 96.0 mtt180 -60.03 -48.67 80.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 72.31 110.971 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.2 -39.46 79.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.108 -0.496 . . . . 63.33 111.167 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -61.87 -59.21 5.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.731 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.694 ' CE1' ' HA ' ' A' ' 55' ' ' ARG . 1.3 p90 -75.85 -17.35 59.85 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.011 -0.676 . . . . 70.1 111.748 -176.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -40.7 97.35 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.621 -0.511 . . . . 65.4 109.621 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -74.99 -8.65 57.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.786 -0.643 . . . . 61.42 111.266 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 58' ' ' PHE . 20.1 m -77.12 -19.99 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.953 0.406 . . . . 75.04 110.439 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.74 23.87 34.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 62.43 113.311 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HB2' HD21 ' A' ' 68' ' ' LEU . 68.1 mt -95.36 148.34 34.48 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.84 -0.43 . . . . 71.01 109.84 175.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 39.2 Cg_exo -62.15 153.1 71.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.948 2.432 . . . . 65.51 112.241 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.506 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.1 mt-30 -52.23 -51.21 74.17 Favored Pre-proline 0 N--CA 1.469 0.494 0 N-CA-C 112.868 0.692 . . . . 75.31 112.868 -176.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 11.6 Cg_endo -56.27 -35.01 95.22 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.132 1.888 . . . . 63.31 112.046 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 68.4 t -74.27 -39.08 48.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.982 -0.554 . . . . 74.13 110.448 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 83.7 mt -62.01 -51.62 67.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.777 -0.647 . . . . 73.24 110.532 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -32.28 71.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.423 -0.808 . . . . 75.22 110.712 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.728 ' HB3' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -63.65 -34.78 78.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.871 -0.604 . . . . 74.33 110.459 178.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.827 HG13 ' HD2' ' A' ' 98' ' ' LYS . 55.5 mt -66.03 -51.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.725 0.298 . . . . 64.33 110.436 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -66.5 -41.46 88.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.128 -0.487 . . . . 75.03 111.126 -176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -24.13 66.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 62.31 111.278 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 104' ' ' LEU . 11.6 mt -91.54 -44.36 9.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.888 -0.596 . . . . 73.24 111.225 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -67.38 -34.07 76.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 55.24 111.423 -176.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.722 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -75.28 76.78 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.417 -0.957 . . . . 71.22 108.417 174.433 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.5 mtm -67.75 -44.57 77.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.944 -0.571 . . . . 74.2 111.794 -172.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 5' ' ' HIS . 1.1 p-10 -81.17 -14.82 57.22 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.935 -0.765 . . . . 75.52 108.935 174.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.722 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.6 t-20 42.95 74.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.281 -1.327 . . . . 55.12 113.433 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -102.44 -10.38 19.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.45 0.643 . . . . 72.43 109.598 171.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 113.98 18.79 6.67 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.668 -0.777 . . . . 71.32 112.316 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -176.19 134.42 0.25 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.354 0.597 . . . . 74.22 110.404 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.0 ptp -84.91 128.78 34.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.752 -1.113 . . . . 73.31 111.271 -175.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.15 -179.35 5.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 74.13 109.124 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -55.54 -37.21 67.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.882 0.31 . . . . 73.2 111.247 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.73 -37.64 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.63 -0.259 . . . . 64.4 111.222 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 90' ' ' ILE . 6.8 mm-40 -73.74 -41.83 61.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.274 0.559 . . . . 73.44 110.339 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -63.1 -28.03 69.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.889 -0.596 . . . . 75.35 110.663 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 t -60.88 -15.2 27.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.829 -0.623 . . . . 70.44 111.585 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 112' ' ' MET . 14.9 tt -104.54 -20.95 5.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 120.922 0.392 . . . . 75.31 111.428 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -67.72 -22.92 65.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.051 0.453 . . . . 73.03 110.968 -178.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.425 ' SD ' ' HB3' ' A' ' 34' ' ' LYS . 25.6 ptt? -48.18 -41.95 28.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.896 -1.047 . . . . 71.31 112.732 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -13.23 21.4 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.773 -0.371 . . . . 64.13 111.669 -173.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.6 mp -70.78 -46.28 63.19 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.799 -0.36 . . . . 60.23 110.819 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 71' ' ' ILE . 53.7 mt -64.45 -42.24 94.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.233 0.54 . . . . 73.22 109.546 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.85 -38.02 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.086 -0.961 . . . . 72.33 110.832 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.81 -38.72 27.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.364 -0.38 . . . . 71.24 111.321 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.827 ' HD2' HG13 ' A' ' 71' ' ' ILE . 36.6 mttp -69.4 -30.05 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.958 -0.297 . . . . 73.4 111.498 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.55 -14.13 61.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 61.44 110.557 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 -90.87 -5.61 55.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.288 0.566 . . . . 65.04 110.039 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.84 55.41 1.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.886 -0.597 . . . . 75.32 112.83 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -137.18 162.44 33.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.206 0.527 . . . . 63.44 111.118 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' C ' HD12 ' A' ' 104' ' ' LEU . 5.0 pm0 -142.59 165.14 28.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.22 -0.9 . . . . 74.22 109.463 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.4 mp -140.62 167.08 18.9 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.67 -0.492 . . . . 74.43 109.67 -177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.5 -169.74 0.51 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.342 2.028 . . . . 72.4 111.31 168.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.1 m -85.53 -4.85 59.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.176 0.513 . . . . 64.05 111.069 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.71 115.56 20.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 53.43 111.069 177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.34 155.18 46.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.143 -0.481 . . . . 55.01 110.305 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 51.2 Cg_exo -56.21 152.82 36.24 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.907 2.404 . . . . 72.41 113.328 -176.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 16.6 Cg_exo -68.87 -17.4 41.69 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.142 2.561 . . . . 73.22 112.495 -178.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.44 -26.22 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.578 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.757 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -74.34 -25.45 59.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.923 -0.581 . . . . 74.41 111.371 -178.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.31 -6.08 17.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 71.21 110.764 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 63.24 -172.67 0.16 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.25 -0.886 . . . . 53.43 111.736 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 36.54 86.99 0.12 Allowed Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 124.75 1.22 . . . . 73.21 113.727 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -54.09 134.89 62.25 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.968 2.445 . . . . 42.24 111.217 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 29.3 m -86.21 142.1 13.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.326 -0.397 . . . . 65.12 111.061 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.84 3.67 53.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.29 0.567 . . . . 63.4 110.513 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.4 102.3 12.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.756 -0.657 . . . . 63.35 109.885 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.2 t -136.19 149.47 48.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.158 -0.473 . . . . 73.11 109.932 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.098 -0.953 . . . . 74.35 109.793 177.078 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.722 0.296 . . . . 74.41 110.391 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.34 77.77 1.35 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.159 -0.543 . . . . 70.13 113.196 -176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -127.05 97.37 4.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.88 0.372 . . . . 73.21 110.027 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -86.43 115.52 23.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.1 -0.704 . . . . 54.15 109.1 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -62.84 -23.81 67.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.65 . . . . 73.44 111.398 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 63.74 76.53 0.35 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.528 0.68 . . . . 73.05 110.105 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -68.94 -28.0 66.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.232 -0.895 . . . . 61.41 111.129 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 64.42 91.9 0.07 Allowed 'General case' 0 N--CA 1.462 0.13 0 N-CA-C 109.222 -0.658 . . . . 73.2 109.222 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -54.21 103.65 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.498 -0.774 . . . . 53.33 111.344 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -106.6 97.11 6.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.774 -0.648 . . . . 74.33 109.461 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -128.31 148.3 50.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.857 -0.61 . . . . 70.43 110.355 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.32 -4.5 3.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.288 -0.414 . . . . 72.34 111.221 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -97.13 133.98 41.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.933 0.397 . . . . 70.35 110.93 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -148.3 152.78 39.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.804 -0.634 . . . . 74.2 109.444 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.03 128.99 27.01 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 122.475 2.117 . . . . 61.2 112.341 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -85.6 145.21 41.39 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 115.297 -0.865 . . . . 71.14 110.036 -178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.21 126.32 19.85 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.711 2.274 . . . . 74.1 112.254 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -121.85 178.56 4.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.417 -0.81 . . . . 74.02 110.377 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 135.23 45.16 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.311 -0.471 . . . . 35.45 113.003 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.05 131.2 6.33 Favored Glycine 0 N--CA 1.448 -0.538 0 N-CA-C 111.712 -0.555 . . . . 71.24 111.712 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -82.33 -179.76 7.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.88 0.371 . . . . 62.31 111.016 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.17 138.74 31.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.101 -0.499 . . . . 53.04 109.791 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -165.07 154.62 12.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.542 0.687 . . . . 71.45 110.775 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -136.65 -36.46 0.7 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.219 -0.9 . . . . 65.41 110.946 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -112.62 -16.3 12.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.614 0.598 . . . . 75.22 112.614 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.23 164.58 21.1 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.47 -0.492 . . . . 42.23 110.495 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -115.24 96.43 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.267 0.556 . . . . 75.34 110.216 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 29' ' ' VAL . 28.0 m -74.75 166.84 22.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.736 -0.665 . . . . 72.12 109.825 177.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' N ' HG22 ' A' ' 28' ' ' THR . 9.4 p -48.72 -38.02 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 122.665 0.386 . . . . 74.24 111.617 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.07 -55.45 34.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.637 -0.256 . . . . 74.51 111.3 176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -34.01 76.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.19 0.519 . . . . 73.33 110.219 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -66.8 -39.91 87.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.754 -0.657 . . . . 74.25 110.277 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 -33.37 47.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.318 -0.401 . . . . 61.13 111.601 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -57.81 -28.09 63.74 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.335 0.494 . . . . 54.04 112.335 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -63.0 -26.23 68.76 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.501 -0.48 . . . . 52.42 111.751 -176.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' N ' ' HD2' ' A' ' 35' ' ' HIS . 21.5 t70 -72.49 -49.38 33.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.226 0.536 . . . . 72.31 110.509 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -62.22 -35.46 78.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.337 -0.847 . . . . 62.31 111.038 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -76.65 -39.45 52.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 52.13 110.563 177.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 1.0 OUTLIER -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.431 0.634 . . . . 64.41 110.134 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -55.86 -37.31 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.128 -0.942 . . . . 71.12 111.109 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -76.22 -18.2 59.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.974 -176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 88' ' ' PHE . 4.2 mm? -74.34 -11.17 60.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 75.21 111.522 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 59.96 66.29 2.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.614 -0.721 . . . . 70.21 110.244 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.25 129.2 30.46 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.771 2.314 . . . . 61.13 112.841 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 tt -93.4 119.97 42.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.0 -1.0 . . . . 75.55 109.377 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.1 m 63.77 -81.49 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.747 -0.66 . . . . 72.13 110.027 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -153.43 21.43 0.73 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.283 -0.484 . . . . 24.12 111.999 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.45 -179.2 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.762 0.315 . . . . 72.22 110.422 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.95 178.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.832 -0.433 . . . . 71.41 109.832 176.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.5 p -126.66 -178.65 4.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.487 -0.324 . . . . 74.51 110.771 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' H ' ' HG2' ' A' ' 82' ' ' ARG . . . -69.06 -41.32 81.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.046 -0.597 . . . . 63.5 112.554 -176.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.57 -41.96 98.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.643 0.259 . . . . 54.04 110.451 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.8 -45.67 92.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 54.3 110.498 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -55.22 36.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.825 -0.625 . . . . 51.15 111.143 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 55' ' ' ARG . 3.5 tmm_? -63.48 -34.93 78.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.962 -0.563 . . . . 74.32 110.589 -176.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -64.59 -48.1 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 71.33 110.772 177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.67 -44.84 95.98 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.293 -0.412 . . . . 73.41 111.313 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.924 ' HB3' HD22 ' A' ' 68' ' ' LEU . 18.1 m-30 -55.29 -45.99 76.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 73.21 110.311 177.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.62 -31.91 69.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 75.51 110.56 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -29.64 70.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.805 -0.634 . . . . 72.33 109.686 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.0 m -66.09 -29.27 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.879 -0.6 . . . . 72.23 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.28 6.67 29.3 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.486 -0.864 . . . . 15.23 113.364 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.0 mt -86.19 144.9 39.27 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.905 0.353 . . . . 70.04 110.323 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.602 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.4 Cg_endo -62.45 154.33 64.98 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.716 2.277 . . . . 74.25 112.548 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 29.7 tt0 -55.79 -49.2 94.26 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 113.184 0.809 . . . . 62.15 113.184 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 10.8 Cg_endo -55.25 -34.8 89.51 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 121.988 1.792 . . . . 64.3 112.116 177.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG13 ' HD3' ' A' ' 98' ' ' LYS . 59.8 t -74.33 -36.65 43.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.74 -0.664 . . . . 70.14 110.501 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.924 HD22 ' HB3' ' A' ' 58' ' ' PHE . 58.7 mt -62.12 -50.31 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 73.4 110.118 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.08 77.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.928 -1.033 . . . . 53.11 110.575 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -46.72 83.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 73.3 110.343 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.537 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.4 mt -64.13 -48.75 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 63.42 110.634 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.46 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.2 t90 -65.91 -40.69 91.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 70.52 111.295 -176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.77 -30.15 70.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.977 0.418 . . . . 53.43 110.987 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.788 HD22 ' HG ' ' A' ' 108' ' ' LEU . 14.1 mt -79.43 -46.78 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 71.22 111.075 175.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.54 -50.04 68.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.705 -0.68 . . . . 55.2 111.75 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -77.64 81.5 4.08 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.252 -0.647 . . . . 64.21 109.252 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 67.6 mtm -61.03 -30.15 70.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.979 -1.01 . . . . 74.25 111.25 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -89.72 -10.69 44.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.746 -0.464 . . . . 73.4 109.746 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.441 HD22 ' HA ' ' A' ' 79' ' ' ASN . 2.2 t-20 53.07 47.54 24.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.266 -0.879 . . . . 75.2 110.266 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -73.23 -35.0 66.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.917 -1.038 . . . . 71.5 109.834 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.46 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 102.55 3.51 50.0 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.569 -0.742 . . . . 73.45 111.662 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HG2' ' H ' ' A' ' 51' ' ' GLY . 84.8 mtt180 -138.18 -30.39 0.79 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.577 0.227 . . . . 75.25 111.048 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 75.3 mtm 68.35 150.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.266 0.979 . . . . 64.22 111.316 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 85' ' ' GLN . 12.9 t70 -107.83 -167.85 1.3 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.307 -0.997 . . . . 71.34 108.307 175.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.411 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.5 mm-40 -70.52 -27.66 64.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.035 0.445 . . . . 65.04 110.254 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.64 -55.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.899 -0.591 . . . . 65.2 110.148 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -63.62 -32.78 74.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 64.44 110.943 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CE2' ' HG ' ' A' ' 42' ' ' LEU . 58.6 t80 -69.41 -39.65 77.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 74.35 110.501 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.1 t -60.53 -37.75 82.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.997 -0.547 . . . . 73.42 110.536 -176.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.1 tt -82.71 -27.45 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.251 -0.431 . . . . 73.34 110.843 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -63.74 -35.64 81.26 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.269 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -54.9 -43.3 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.57 -0.741 . . . . 60.42 110.76 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' LYS . 38.1 tptt -65.51 -41.26 93.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 70.01 111.158 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -64.7 -33.73 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.478 -0.328 . . . . 64.32 111.801 -175.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' A' ' 58' ' ' PHE . 58.5 mt -65.46 -50.31 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.14 0.495 . . . . 75.43 109.869 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 59.8 mmtt -64.78 -40.05 94.61 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.454 -0.794 . . . . 65.13 110.163 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 15.5 tp -57.0 -50.81 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.072 -0.967 . . . . 74.42 111.024 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.589 ' HD3' HG13 ' A' ' 67' ' ' VAL . 47.3 mttp -68.7 -28.76 67.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 71.12 111.193 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -77.06 -13.85 59.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.329 -0.396 . . . . 41.41 111.068 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 31.4 mm-40 -88.71 -24.87 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 71.52 110.57 175.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.79 57.48 0.49 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.656 -0.783 . . . . 33.35 112.602 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.548 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 97.0 m-85 -133.41 167.69 19.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.006 -0.368 . . . . 73.35 110.006 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -131.5 165.53 23.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.397 -0.365 . . . . 73.12 110.195 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.514 HD21 HD23 ' A' ' 108' ' ' LEU . 24.9 tp -168.55 142.12 2.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.716 -0.476 . . . . 74.4 109.716 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.436 ' O ' HD11 ' A' ' 74' ' ' LEU . 3.1 Cg_endo -87.91 -163.68 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 123.46 2.774 . . . . 61.34 112.28 175.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.3 m -76.01 5.95 5.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 74.24 111.825 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.0 117.98 34.8 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.288 -0.414 . . . . 54.33 111.148 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.788 ' HG ' HD22 ' A' ' 74' ' ' LEU . 81.0 mt -90.84 144.56 30.42 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.143 -0.481 . . . . 63.25 110.259 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 38.1 Cg_endo -67.84 152.24 77.55 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 121.914 1.742 . . . . 74.43 111.797 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.2 Cg_exo -70.89 -7.04 20.52 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.213 2.609 . . . . 74.25 113.002 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.1 t -82.76 -39.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.429 . . . . 65.4 111.245 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.479 ' HG3' ' HG2' ' A' ' 109' ' ' PRO . 82.3 mtp -72.75 -35.49 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.155 0.503 . . . . 53.55 110.723 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -9.67 48.4 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.707 -0.679 . . . . 64.4 109.755 -179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 65.89 161.29 0.14 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.192 -0.913 . . . . 60.52 111.732 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -95.04 124.42 54.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 70.41 110.001 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.11 114.9 2.14 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 C-N-CA 122.364 2.042 . . . . 73.02 111.334 176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.79 140.22 16.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.272 -0.876 . . . . 62.21 111.485 -175.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -165.99 132.56 2.63 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.821 -1.081 . . . . 73.42 109.642 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.7 mm -98.17 89.03 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.436 0.636 . . . . 74.41 109.875 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.2 m -123.97 -31.38 3.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.676 -0.693 . . . . 45.54 110.296 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.736 -0.649 . . . . 72.3 109.644 -178.363 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.851 0.358 . . . . 72.53 110.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.46 -138.29 14.85 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.925 -0.655 . . . . 73.52 112.4 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 67.51 30.9 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.165 0.586 . . . . 70.4 111.011 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -88.71 111.08 21.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.845 -0.798 . . . . 75.43 108.845 174.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -101.21 74.81 1.59 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.849 0.357 . . . . 54.14 111.198 -172.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -123.63 18.78 9.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.127 0.489 . . . . 73.21 111.033 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -81.68 114.67 20.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.643 -0.503 . . . . 73.02 109.643 173.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -130.62 93.28 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.979 0.418 . . . . 74.04 110.93 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -151.64 101.09 2.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 54.41 110.009 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -141.42 113.13 7.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 75.31 109.564 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.9 ptp -143.56 136.08 27.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 72.13 111.432 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.15 139.76 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.128 -0.693 . . . . 74.03 109.128 174.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -126.33 124.96 41.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.932 0.396 . . . . 70.41 111.435 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -120.95 107.45 37.84 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.964 -0.562 . . . . 70.11 109.531 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.12 140.0 57.88 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.655 2.237 . . . . 64.42 112.788 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.3 p -88.24 129.11 50.91 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.665 -0.698 . . . . 53.32 110.604 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.69 146.37 43.16 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.236 1.957 . . . . 63.2 112.652 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 61.21 79.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.935 -1.03 . . . . 75.22 111.659 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.19 111.2 2.91 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.662 -0.699 . . . . 72.31 111.7 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -146.3 11.11 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.654 -0.784 . . . . 44.51 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 m -81.41 160.0 24.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.762 0.315 . . . . 73.4 111.042 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -111.87 172.38 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.689 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 11.4 p-10 -89.6 36.86 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.821 -0.627 . . . . 62.15 111.079 -176.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -63.73 -64.1 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.01 0.433 . . . . 71.04 110.515 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' O ' ' HG2' ' A' ' 112' ' ' MET . 89.6 m95 -90.68 -23.29 20.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.845 177.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -65.72 144.62 56.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.04 -0.527 . . . . 64.42 110.444 177.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.51 102.37 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.369 0.604 . . . . 73.3 109.507 174.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 159.29 25.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.093 -0.958 . . . . 74.44 110.456 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.54 -34.58 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.185 0.517 . . . . 52.24 110.949 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.32 -47.17 68.26 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.64 -0.709 . . . . 63.13 110.917 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.8 -37.44 84.38 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.525 0.678 . . . . 71.32 109.858 176.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 4.1 tmt_? -61.42 -34.77 75.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.172 -0.922 . . . . 75.52 110.381 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.69 -23.27 27.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.048 0.452 . . . . 74.43 111.547 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -69.28 -35.09 75.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.875 -0.602 . . . . 74.41 112.012 -173.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p80 -57.38 -34.97 69.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 65.41 111.831 -175.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 13.8 t70 -67.1 -39.4 86.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.444 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.25 -46.02 91.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 75.24 110.552 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.28 -44.75 71.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.66 -0.7 . . . . 62.35 110.778 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' HZ ' ' HA ' ' A' ' 48' ' ' PHE . 60.1 t80 -62.27 -39.69 93.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.84 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.38 -31.74 71.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 75.43 110.551 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.6 m -75.6 -19.49 59.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.003 -0.544 . . . . 31.4 111.981 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.82 HD21 ' HD2' ' A' ' 57' ' ' PHE . 65.7 mt -81.86 3.79 24.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.814 0.302 . . . . 75.32 111.814 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 54.82 73.27 0.91 Allowed Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 123.843 0.715 . . . . 55.52 111.236 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -51.11 128.45 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.964 1.776 . . . . 52.15 111.648 175.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.9 tt -67.89 -27.18 36.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.499 0.666 . . . . 75.12 110.993 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -141.71 -69.04 0.37 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.224 -1.028 . . . . 65.02 108.224 174.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.07 19.92 1.23 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.391 -1.083 . . . . 71.34 110.391 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.623 ' HA ' ' HZ ' ' A' ' 39' ' ' PHE . 20.1 p90 -163.38 177.19 9.13 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.625 -0.288 . . . . 75.41 110.333 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.55 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 65.1 110.336 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 52' ' ' ASP . 10.3 t -148.21 176.71 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 60.24 109.955 178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -57.44 -31.74 63.45 Favored Glycine 0 C--N 1.332 0.307 0 O-C-N 123.272 0.357 . . . . 75.2 113.134 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.484 ' H ' HG23 ' A' ' 50' ' ' THR . 35.5 t70 -60.97 -41.0 95.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 60.43 110.77 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.39 -42.28 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 71.33 109.981 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.18 85.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.56 -0.745 . . . . 64.13 111.06 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -60.26 -39.56 87.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.811 -0.631 . . . . 72.21 111.55 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -75.0 -32.99 61.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.646 -0.252 . . . . 71.24 110.826 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.82 ' HD2' HD21 ' A' ' 42' ' ' LEU . 62.7 t80 -61.49 -45.23 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.628 -0.508 . . . . 54.3 109.628 172.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.948 ' HB3' HD22 ' A' ' 68' ' ' LEU . 22.4 m-30 -53.3 -48.71 68.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.544 -0.753 . . . . 74.2 110.724 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.19 -48.09 81.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.809 . . . . 74.23 111.87 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -71.73 -3.05 19.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.739 0.304 . . . . 74.3 111.575 -175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.3 m -84.71 -17.93 36.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 73.3 110.585 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.9 38.61 5.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.467 -0.873 . . . . 73.22 113.138 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' HB2' HD21 ' A' ' 68' ' ' LEU . 60.9 mt -130.53 150.3 75.92 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 110.355 -0.239 . . . . 52.52 110.355 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.623 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 14.6 Cg_exo -69.89 149.21 65.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.931 2.421 . . . . 74.03 112.019 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 68' ' ' LEU . 40.1 mt-30 -53.44 -44.51 97.72 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 113.491 0.923 . . . . 73.42 113.491 -176.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.43 -34.64 42.28 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.136 1.891 . . . . 72.35 112.754 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 47.0 t -83.07 -32.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.425 0.631 . . . . 74.31 110.078 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.948 HD22 ' HB3' ' A' ' 58' ' ' PHE . 72.0 mt -66.9 -48.11 69.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.348 -0.842 . . . . 55.42 110.935 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.84 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.384 -0.826 . . . . 62.24 111.138 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.468 HE22 HD12 ' A' ' 74' ' ' LEU . 1.1 tm0? -61.37 -42.88 99.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 70.1 109.582 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.025 HD13 HG12 ' A' ' 95' ' ' ILE . 35.7 mt -66.89 -46.17 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.676 -0.693 . . . . 72.52 110.3 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.611 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 21.1 t90 -64.12 -39.76 94.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.442 -0.799 . . . . 65.12 111.314 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.53 -25.02 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 53.25 110.937 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.802 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.2 mt -91.07 -31.39 16.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.541 -0.754 . . . . 62.1 112.443 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -63.18 -69.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.14 0.422 . . . . 71.31 112.14 -168.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.22 100.69 8.44 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 119.543 -0.863 . . . . 73.33 108.726 174.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.6 mtm -51.84 -29.53 19.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.072 -1.422 . . . . 74.22 112.904 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -77.98 -11.13 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.939 0.399 . . . . 61.32 110.242 178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.35 53.25 8.97 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.947 -1.131 . . . . 64.32 107.947 -169.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -82.78 -28.9 30.01 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.894 -1.503 . . . . 55.13 110.345 -170.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.56 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 87.54 16.22 60.58 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.716 -0.754 . . . . 54.3 111.716 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -103.38 -44.04 5.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.932 0.345 . . . . 74.25 111.932 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 41.4 ttm 51.69 78.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.303 -0.862 . . . . 71.31 109.541 -163.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.12 175.33 6.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.201 -0.909 . . . . 74.01 109.213 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.84 -32.01 71.42 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.444 -0.206 . . . . 74.02 110.444 -178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.0 t -73.55 -46.02 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.327 -0.397 . . . . 72.3 110.141 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.26 -38.21 87.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.506 0.669 . . . . 55.02 109.823 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.12 -29.4 69.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.558 -0.746 . . . . 64.21 110.324 175.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -66.51 -33.06 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 64.21 110.733 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.633 HD13 HD13 ' A' ' 108' ' ' LEU . 18.0 tt -92.6 -23.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.273 0.559 . . . . 61.21 110.619 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -84.56 -22.74 29.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 60.45 112.039 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 13.3 ptm -56.34 -39.76 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.321 . . . . 63.42 111.865 -176.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . 13.0 ptpt -91.8 -4.29 55.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.028 -0.669 . . . . 71.24 111.392 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 1.0 OUTLIER -67.02 -48.61 67.83 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.174 -0.676 . . . . 72.53 109.174 173.026 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 1.025 HG12 HD13 ' A' ' 71' ' ' ILE . 22.5 mt -63.87 -38.71 83.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.508 0.671 . . . . 73.42 109.663 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 84.1 tttt -55.24 -43.52 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.595 -1.184 . . . . 63.34 110.874 177.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.15 -18.33 29.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 74.12 112.028 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.673 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -57.58 -49.58 75.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.092 0.472 . . . . 74.35 109.967 173.35 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.01 -22.01 62.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.384 -0.826 . . . . 71.03 111.006 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -83.74 -26.99 29.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 64.3 110.741 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.95 41.87 0.75 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.731 -0.747 . . . . 75.2 113.741 175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -129.06 148.24 50.99 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.667 -0.864 . . . . 72.21 108.667 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.628 ' HA ' ' NZ ' ' A' ' 98' ' ' LYS . 10.6 pt20 -117.08 -55.73 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.287 -0.565 . . . . 75.43 112.417 -175.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.589 ' N ' ' HG3' ' A' ' 103' ' ' GLN . 28.7 mt 66.55 148.46 0.11 Allowed Pre-proline 0 N--CA 1.468 0.445 0 C-N-CA 123.211 0.604 . . . . 73.22 111.529 -170.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 3.1 Cg_endo -87.26 -164.7 0.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.256 2.637 . . . . 61.12 111.116 171.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.526 ' HA ' HD21 ' A' ' 74' ' ' LEU . 5.9 p -73.27 -5.19 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.437 0.637 . . . . 64.32 111.267 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.06 100.35 12.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.587 -0.733 . . . . 70.41 111.061 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.802 ' HG ' HD22 ' A' ' 74' ' ' LEU . 24.9 mt -71.18 144.36 89.66 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.624 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 17.2 Cg_exo -68.79 151.94 74.14 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.373 2.049 . . . . 61.41 111.857 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 11.1 Cg_exo -72.11 -19.58 26.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 123.108 2.539 . . . . 71.25 112.438 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.1 t -77.93 -18.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.77 -0.65 . . . . 64.32 110.702 -174.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 70.2 mtp -92.0 -21.14 20.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 61.13 110.565 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -74.28 -31.34 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.858 -0.61 . . . . 75.32 111.565 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.97 149.36 11.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.703 0.764 . . . . 55.44 112.478 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.663 ' HB3' ' HD3' ' A' ' 116' ' ' PRO . 6.1 tp-100 -129.26 -55.49 0.03 OUTLIER Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 114.844 -1.071 . . . . 74.41 110.14 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 115' ' ' GLN . 83.0 Cg_endo -85.63 152.95 10.27 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.916 1.744 . . . . 54.11 111.66 173.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 30.2 m -81.03 140.44 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.845 0.355 . . . . 73.11 110.61 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.86 -74.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.179 -0.464 . . . . 75.04 111.168 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 60.2 mt -98.54 -43.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.365 0.602 . . . . 73.31 110.11 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -148.77 -58.65 0.22 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.718 -0.674 . . . . 75.3 109.419 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.249 1.069 0 N-CA-C 108.32 -0.993 . . . . 64.33 108.32 175.051 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.952 0.406 . . . . 73.25 110.048 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.29 -133.14 3.45 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.788 -0.72 . . . . 41.13 112.095 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 m80 63.2 38.03 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.774 0.43 . . . . 71.31 111.499 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -83.26 109.53 17.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.429 -0.582 . . . . 60.1 109.429 172.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -126.81 148.46 49.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.132 -0.485 . . . . 61.34 110.917 -175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -146.06 112.83 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 75.25 110.411 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -127.22 113.64 16.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.213 -0.449 . . . . 71.53 110.975 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -175.76 142.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.51 -0.552 . . . . 54.4 109.51 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 m -135.64 91.15 2.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.17 0.509 . . . . 63.45 110.293 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -107.34 103.45 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.942 -0.572 . . . . 74.44 110.596 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 87.2 mtp -122.4 78.3 1.49 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 74.42 109.333 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.56 99.27 3.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 42.34 110.137 -177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -137.44 107.63 6.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.928 -0.578 . . . . 74.21 110.496 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -106.89 138.08 19.69 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.743 -0.662 . . . . 61.54 109.72 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.2 141.49 63.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 44.23 112.267 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.48 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.2 p -85.24 132.87 43.92 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 64.1 111.12 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 10.2 Cg_endo -90.64 -168.47 0.28 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.489 2.793 . . . . 73.12 112.536 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -139.57 -178.39 5.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 71.04 110.195 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.36 98.94 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.021 -0.609 . . . . 51.54 111.659 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.67 -63.28 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.216 -0.992 . . . . 63.32 113.147 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 m -68.46 -1.45 6.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 44.52 112.777 -172.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.2 pt? -128.52 -15.75 4.46 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.228 0.537 . . . . 75.14 110.963 -178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -112.15 21.93 15.32 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.595 -0.73 . . . . 72.3 110.7 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -61.07 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.85 0.357 . . . . 73.52 111.369 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.468 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 53.8 m95 -100.4 -24.14 14.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.221 0.534 . . . . 70.44 110.68 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.0 116.14 6.81 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.474 -0.784 . . . . 75.43 111.948 -174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -92.69 88.76 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.585 0.707 . . . . 71.43 109.19 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -172.96 3.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.159 -0.928 . . . . 73.34 111.36 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.31 -41.11 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 62.4 110.766 -178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.14 -32.89 74.38 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.621 0.248 . . . . 44.52 110.77 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HE1' ' A' ' 92' ' ' MET . 32.6 mm-40 -71.5 -36.88 71.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.388 0.613 . . . . 74.33 109.494 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HA ' ' HD2' ' A' ' 35' ' ' HIS . 25.2 ttm180 -63.24 -48.66 77.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.702 -0.681 . . . . 74.04 110.119 175.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.05 78.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.996 -0.547 . . . . 60.05 110.62 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -63.09 -48.28 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.741 -0.663 . . . . 62.01 111.837 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 3.7 p80 -64.53 -32.59 74.29 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 119.959 -0.697 . . . . 75.43 109.176 -175.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.49 -50.13 66.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.321 -0.854 . . . . 71.54 111.42 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.35 -42.04 90.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.169 0.509 . . . . 75.42 110.923 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.56 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -71.1 -40.06 71.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.853 -0.612 . . . . 71.21 110.562 178.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.823 ' HE1' HG23 ' A' ' 49' ' ' ILE . 12.6 t80 -55.43 -46.04 76.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.242 0.544 . . . . 75.42 110.042 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -59.81 -43.11 94.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.132 -0.94 . . . . 73.23 111.272 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -75.26 -19.13 59.88 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.883 -0.598 . . . . 51.33 112.354 -175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 38' ' ' GLN . 59.3 mt -79.89 1.78 25.87 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.392 0.516 . . . . 73.01 112.392 -174.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 60.37 66.2 1.98 Allowed Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 109.752 -0.462 . . . . 52.22 109.752 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.67 147.17 81.12 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 121.861 1.708 . . . . 75.3 111.918 -176.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.4 mt -76.67 95.32 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.167 -0.679 . . . . 71.45 109.167 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m 66.97 -69.89 0.12 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.853 0.721 . . . . 74.51 111.328 -177.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.58 17.1 0.75 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.58 -0.819 . . . . 31.44 112.758 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.9 173.02 14.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.533 0.206 . . . . 73.11 110.531 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.823 HG23 ' HE1' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -124.67 -177.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.875 -0.417 . . . . 63.5 109.875 174.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.745 HG22 ' H ' ' A' ' 51' ' ' GLY . 1.4 m -141.93 -173.24 3.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.359 -0.608 . . . . 71.45 109.359 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.745 ' H ' HG22 ' A' ' 50' ' ' THR . . . -54.33 -42.01 73.0 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.562 -0.351 . . . . 72.53 113.479 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.681 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 6.8 m-20 -61.55 -42.39 98.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 117.042 0.421 . . . . 64.21 111.568 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 10.5 mm100 -65.97 -37.14 85.21 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.805 -0.443 . . . . 74.05 109.805 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.11 96.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.723 -0.671 . . . . 74.2 110.314 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HD2' ' HA ' ' A' ' 52' ' ' ASP . 98.1 mtt180 -52.51 -50.54 62.59 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.63 -0.714 . . . . 74.31 111.2 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 27.6 t-20 -64.6 -44.89 89.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 74.02 111.315 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.521 ' CD1' HD11 ' A' ' 42' ' ' LEU . 67.8 t80 -56.99 -49.57 75.35 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.803 0.335 . . . . 72.31 110.996 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CD1' HD11 ' A' ' 95' ' ' ILE . 12.9 m-30 -65.18 -43.86 90.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.258 -0.428 . . . . 63.31 110.478 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.454 ' HD1' HD11 ' A' ' 68' ' ' LEU . 63.5 t80 -67.0 -39.49 87.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.221 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -59.79 -22.91 62.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 72.53 111.024 -179.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 m -80.01 -8.44 59.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.419 . . . . 73.43 111.37 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.01 43.16 5.13 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.616 -0.802 . . . . 73.54 112.64 178.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.541 HD22 HG11 ' A' ' 67' ' ' VAL . 66.9 mt -119.25 143.87 35.12 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 122.867 -0.196 . . . . 73.15 110.513 176.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.575 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 40.6 Cg_endo -70.77 163.06 40.41 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.854 2.369 . . . . 74.31 113.123 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.713 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 23.5 tt0 -53.1 -55.16 36.61 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 113.404 0.89 . . . . 74.01 113.404 -172.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 65' ' ' GLN . 35.0 Cg_exo -60.9 -31.35 91.48 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 121.988 1.792 . . . . 63.21 112.341 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG13 ' HD3' ' A' ' 98' ' ' LYS . 53.3 t -71.71 -35.84 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 62.54 110.713 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 46.7 mt -60.25 -48.25 82.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.587 0.708 . . . . 74.01 109.91 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.77 -37.85 77.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 75.11 111.333 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.529 HE21 HD13 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -60.34 -44.88 95.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.401 178.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.776 HD11 ' HG2' ' A' ' 98' ' ' LYS . 38.0 mt -66.34 -46.11 87.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.461 -0.336 . . . . 73.51 110.363 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -62.12 -44.79 95.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.916 -0.584 . . . . 74.42 111.33 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.45 71.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.981 0.419 . . . . 63.44 111.655 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.739 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.9 mp -88.03 -27.85 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 65.43 112.121 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -62.73 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.42 0.526 . . . . 64.44 112.42 -170.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.781 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 p-10 -84.08 94.39 8.32 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-O 121.746 0.784 . . . . 54.32 110.023 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.8 ptp -59.27 -30.75 68.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.649 -1.159 . . . . 54.22 111.778 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.602 HD22 ' HB2' ' A' ' 80' ' ' ASP . 11.9 t30 -68.29 -13.03 61.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.734 -0.666 . . . . 73.02 110.29 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 46.74 67.85 0.71 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.111 -0.95 . . . . 64.43 111.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.602 ' HB2' HD22 ' A' ' 78' ' ' ASN . 22.2 t70 -105.09 -15.99 14.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.335 -0.848 . . . . 73.35 109.694 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.0 36.09 64.59 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.855 -0.898 . . . . 74.12 110.855 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 50' ' ' THR . 70.6 ttt180 -146.29 -44.69 0.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.107 -0.546 . . . . 72.31 109.95 -173.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 87' ' ' GLU . 15.1 ptp 56.09 115.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 125.341 1.651 . . . . 72.32 112.499 -177.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -78.45 175.2 10.52 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.425 -0.954 . . . . 74.51 108.425 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.524 HE22 HD12 ' A' ' 49' ' ' ILE . 15.8 mm-40 -56.09 -23.61 34.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.088 0.773 . . . . 52.33 113.088 -178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.44 -54.88 18.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.612 -0.514 . . . . 74.31 109.612 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.781 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.0 mp0 -66.62 -28.66 68.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 61.14 110.729 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 93.5 t80 -67.47 -38.94 85.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.988 0.423 . . . . 74.12 110.478 176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -66.72 -36.17 81.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.901 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' A' ' 87' ' ' GLU . 17.0 tt -79.78 -30.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.37 -0.377 . . . . 70.14 110.651 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -72.96 -37.26 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.583 -0.281 . . . . 72.11 111.508 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.433 ' HE1' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -72.19 -24.97 61.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.019 0.437 . . . . 71.31 110.258 -179.407 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -76.6 -37.17 56.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 75.33 110.099 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HG ' ' OH ' ' A' ' 102' ' ' TYR . 1.2 mp -59.42 -34.64 72.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.638 -0.71 . . . . 73.45 111.317 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.743 HD13 HD13 ' A' ' 71' ' ' ILE . 37.0 mm -56.02 -45.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.796 -0.638 . . . . 74.34 111.865 -174.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 96' ' ' LYS . 7.4 tmtm? -61.69 -42.74 99.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.504 -0.317 . . . . 74.22 110.309 -175.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 tp -79.13 -26.86 42.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.211 0.529 . . . . 73.14 110.293 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.776 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.3 -31.31 67.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.5 178.335 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.81 -19.34 65.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.406 . . . . 72.21 110.546 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -86.18 -17.03 35.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 72.12 110.535 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.68 45.18 6.92 Favored Glycine 0 C--O 1.226 -0.351 0 C-N-CA 121.119 -0.562 . . . . 73.14 113.186 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.42 ' OH ' ' HG ' ' A' ' 94' ' ' LEU . 5.0 p90 -81.64 170.09 16.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.125 0.462 . . . . 64.54 110.42 177.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -130.03 134.12 47.19 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.74 -0.663 . . . . 61.12 110.474 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.2 tp -159.33 144.23 11.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 75.34 109.617 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.74 178.65 5.51 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.754 2.303 . . . . 44.23 111.758 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.739 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 40.2 m -66.39 -15.3 63.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.96 0.41 . . . . 45.54 111.236 -174.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.82 86.7 7.32 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.193 0.52 . . . . 73.35 110.861 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -78.79 150.58 75.75 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.705 -0.679 . . . . 71.52 109.963 174.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.45 152.25 78.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.462 2.108 . . . . 54.41 113.08 -172.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 113' ' ' LYS . 60.9 Cg_endo -74.22 -5.74 17.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.982 2.455 . . . . 75.2 112.192 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.88 -27.22 29.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.319 0.58 . . . . 71.1 110.215 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' A' ' 25' ' ' TRP . 44.2 mtp -84.42 -48.87 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.006 -0.543 . . . . 73.24 110.66 -178.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 110' ' ' PRO . 6.9 ptpt -69.64 -19.28 63.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.399 -0.364 . . . . 73.31 110.196 177.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 61.27 -164.57 0.24 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.223 -0.898 . . . . 74.45 109.982 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -109.02 99.09 33.73 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 109.179 -0.674 . . . . 63.33 109.179 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.39 144.9 81.68 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.6 2.2 . . . . 74.11 111.961 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 20.2 m -62.78 126.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.573 . . . . 64.12 111.262 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.29 86.46 5.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.561 . . . . 62.02 109.898 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.54 122.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.562 -0.745 . . . . 74.23 112.087 -174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 p -106.48 177.07 4.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 54.33 110.147 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.468 -0.777 . . . . 44.44 110.306 178.702 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.808 0.337 . . . . 54.12 110.943 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.64 -102.51 0.97 Allowed Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.821 -0.627 . . . . 54.23 113.924 169.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.25 -4.91 15.72 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.956 0.725 . . . . 72.42 112.956 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.98 133.91 18.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.406 -0.22 . . . . 75.24 110.406 176.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -136.06 150.35 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.187 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -88.19 178.22 6.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.115 -0.493 . . . . 72.01 110.556 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -118.3 -176.62 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.907 0.336 . . . . 73.32 111.907 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 76.32 -55.12 0.59 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.057 0.943 . . . . 75.14 110.556 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -80.45 87.64 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.687 -0.857 . . . . 75.14 108.687 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -124.85 102.0 7.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.531 -0.759 . . . . 71.3 110.011 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 83.4 mtp -78.05 116.09 18.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.138 -0.483 . . . . 70.15 110.556 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.25 168.16 21.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.0 -0.546 . . . . 71.21 110.546 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -99.41 172.76 7.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.131 -0.486 . . . . 73.33 110.313 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 68.1 m-85 -77.98 138.81 61.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.367 . . . . 75.51 111.056 -175.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 12.6 Cg_exo -70.51 140.49 39.99 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.892 2.395 . . . . 71.42 111.937 176.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.531 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 17.5 p -100.03 169.38 8.08 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.981 -0.554 . . . . 72.24 110.649 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' A' ' 16' ' ' THR . 72.1 Cg_exo -52.31 111.97 0.75 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.125 2.55 . . . . 72.22 113.354 179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.14 21.07 3.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.75 -0.659 . . . . 72.31 110.565 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.37 -131.16 4.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 44.54 112.437 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.73 84.92 0.83 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.502 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -90.09 113.57 25.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.995 0.426 . . . . 74.3 110.74 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.5 mt -99.9 -13.36 19.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.118 0.485 . . . . 74.21 111.267 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.2 15.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.889 -0.596 . . . . 74.42 111.413 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 m -62.22 -33.55 74.8 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.083 0.401 . . . . 61.53 112.083 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -91.0 8.77 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.523 0.678 . . . . 65.41 111.541 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.87 -170.01 1.59 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.155 -0.93 . . . . 31.11 109.628 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -128.7 97.07 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.515 0.674 . . . . 72.41 109.639 171.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 m -65.46 158.17 27.51 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.773 -1.103 . . . . 72.13 109.802 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.96 -30.22 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.972 0.415 . . . . 64.22 110.231 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.81 -46.67 81.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.505 . . . . 71.53 110.18 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 46.6 mt-10 -66.5 -32.97 74.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.049 0.452 . . . . 73.32 110.237 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -66.18 -38.91 89.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.101 -0.499 . . . . 71.33 110.1 177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.01 56.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 73.53 110.771 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 2.5 tmtm? -60.23 -26.75 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.564 -0.744 . . . . 64.04 110.865 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' HA ' ' SD ' ' A' ' 92' ' ' MET . 8.4 p-80 -58.41 -34.43 70.75 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.864 -0.421 . . . . 73.22 109.864 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.64 -48.46 74.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 52.02 110.253 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.04 -45.36 93.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.808 -0.633 . . . . 54.52 111.015 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.458 ' HG2' ' HB2' ' A' ' 92' ' ' MET . 3.6 tp-100 -67.6 -50.84 56.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 75.31 110.523 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.785 ' HE1' HG23 ' A' ' 49' ' ' ILE . 3.9 t80 -64.12 -35.43 80.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.683 -0.689 . . . . 74.44 110.978 -176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -66.32 -34.41 77.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.007 0.432 . . . . 72.44 110.201 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.0 m -75.91 -17.5 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 72.42 111.828 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.621 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.8 tt -73.44 -19.65 60.91 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.74 -0.467 . . . . 64.14 109.74 177.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 75.48 0.36 Allowed Pre-proline 0 N--CA 1.465 0.279 0 CA-C-N 115.316 -0.856 . . . . 75.1 110.306 -171.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 10.2 Cg_endo -58.0 136.7 76.75 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.497 2.131 . . . . 74.24 111.591 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.1 tt -66.36 -35.28 74.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.691 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.64 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 23.0 t -156.55 44.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.749 0.785 . . . . 52.12 109.112 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.86 -1.68 87.93 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.472 -0.785 . . . . 52.32 112.439 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.64 ' CE1' ' HB3' ' A' ' 46' ' ' SER . 30.4 p90 -143.99 170.1 16.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.656 -0.498 . . . . 72.45 109.656 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.785 HG23 ' HE1' ' A' ' 39' ' ' PHE . 2.3 pt -123.51 179.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.015 -0.539 . . . . 65.12 110.201 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.2 t -158.58 -174.63 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.853 -0.795 . . . . 61.34 108.853 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 55' ' ' ARG . . . -54.07 -37.68 59.17 Favored Glycine 0 C--N 1.333 0.407 0 O-C-N 123.296 0.373 . . . . 72.32 112.815 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.74 -53.53 56.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 111.435 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -72.01 -29.74 64.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 71.54 110.901 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.47 94.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.823 0.344 . . . . 71.13 110.14 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 39.6 mmt180 -58.05 -49.81 75.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.886 -0.597 . . . . 53.41 111.025 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.1 -48.48 79.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.955 -177.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.26 -52.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.516 -0.311 . . . . 70.14 110.824 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.59 ' HB3' HD13 ' A' ' 68' ' ' LEU . 3.9 m-85 -59.19 -47.05 86.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.074 -0.512 . . . . 62.42 111.578 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -66.6 -38.64 87.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.047 0.451 . . . . 75.14 110.626 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -72.33 -12.01 60.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.046 -0.525 . . . . 65.35 110.76 -178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.1 m -72.77 -20.98 61.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.252 -0.431 . . . . 63.13 110.31 175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.54 8.46 64.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.857 -0.687 . . . . 52.4 112.807 176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 68' ' ' LEU . 92.7 mt -90.84 144.29 30.03 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.58 -0.155 . . . . 64.14 110.58 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 63' ' ' LEU . 36.7 Cg_exo -61.94 158.18 39.82 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.952 2.434 . . . . 70.3 112.513 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.453 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 47.4 mt-30 -55.77 -52.81 69.18 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 112.808 0.67 . . . . 72.24 112.808 -175.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.04 -38.22 92.68 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 121.837 1.692 . . . . 75.12 111.923 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.582 HG13 ' HD2' ' A' ' 98' ' ' LYS . 72.8 t -62.38 -41.57 92.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.814 . . . . 63.02 110.766 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 63' ' ' LEU . 96.4 mt -69.7 -48.22 60.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.803 -0.635 . . . . 65.43 110.901 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.7 70.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.509 -0.769 . . . . 75.31 111.101 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.79 -41.24 95.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 71.31 110.314 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 95' ' ' ILE . 67.4 mt -74.92 -40.46 45.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 54.21 110.808 179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.464 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 18.3 t90 -65.11 -40.31 94.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.473 -0.33 . . . . 74.03 110.504 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.9 -17.82 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 64.22 110.734 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 108' ' ' LEU . 12.6 mt -92.52 -37.69 12.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.338 -0.846 . . . . 75.23 112.354 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.86 -63.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.017 0.377 . . . . 62.15 112.017 -169.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.681 ' HB3' ' HG2' ' A' ' 87' ' ' GLU . 14.9 p-10 -83.66 93.91 8.0 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 121.991 0.9 . . . . 74.31 108.872 175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -61.14 -29.77 69.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.166 -1.379 . . . . 71.04 111.924 -174.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -82.19 -7.57 59.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.049 0.452 . . . . 72.24 110.058 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.468 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 2.7 t-20 49.67 72.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.855 -1.066 . . . . 72.52 110.684 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -92.45 -19.79 21.66 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.883 -1.053 . . . . 61.34 109.578 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 73.55 39.02 50.84 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.712 -0.677 . . . . 44.45 112.013 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HE ' ' HB2' ' A' ' 84' ' ' ASP . 14.7 ptm180 -121.04 -51.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.894 0.378 . . . . 74.45 111.514 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.442 ' N ' ' HG3' ' A' ' 82' ' ' ARG . 48.0 ttm 55.11 81.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.959 -1.019 . . . . 64.34 110.258 -170.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.469 ' HB2' ' HE ' ' A' ' 82' ' ' ARG . 4.9 t70 -83.77 -173.17 4.56 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.932 -1.031 . . . . 72.22 108.422 176.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -18.89 64.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.043 0.449 . . . . 72.33 110.404 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -69.02 -55.77 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.814 -0.63 . . . . 73.3 110.07 174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.681 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 3.4 mp0 -64.04 -42.69 96.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.408 -0.36 . . . . 75.11 110.736 179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -57.83 -32.17 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.392 -0.367 . . . . 65.02 111.122 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.42 -30.29 71.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.713 0.292 . . . . 61.3 111.223 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.457 HD13 HD21 ' A' ' 108' ' ' LEU . 19.7 tt -98.79 -27.0 3.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.427 . . . . 74.13 110.835 -178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.74 35.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.132 -0.485 . . . . 72.04 111.979 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 35' ' ' HIS . 22.3 ptt? -57.07 -38.4 73.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.616 -0.265 . . . . 74.13 111.551 -176.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -85.26 -15.8 42.29 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.623 -0.431 . . . . 62.44 110.9 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -41.38 71.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.677 -0.49 . . . . 71.33 109.677 174.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 HD13 ' A' ' 71' ' ' ILE . 31.8 mm -61.12 -40.91 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.367 -0.605 . . . . 63.13 109.367 175.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 14.6 tmtt? -60.39 -48.12 83.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.018 -0.992 . . . . 72.44 110.955 -178.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 pp -76.69 -24.97 53.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.962 0.41 . . . . 72.24 111.059 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.582 ' HD2' HG13 ' A' ' 67' ' ' VAL . 16.1 tppt? -70.89 -36.95 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.79 0.329 . . . . 75.24 110.227 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.11 -21.52 66.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 52.42 110.576 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 68.5 mm-40 -91.49 -12.25 35.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.532 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.11 17.41 20.5 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.794 -0.717 . . . . 64.3 113.645 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -86.51 159.09 19.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.342 0.591 . . . . 75.34 111.028 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -136.21 145.79 46.07 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.657 -0.701 . . . . 54.22 110.871 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 2.3 pt? -151.55 144.65 17.13 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 108.445 -0.946 . . . . 71.12 108.445 172.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 104' ' ' LEU . 6.2 Cg_exo -77.36 -168.53 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 123.02 2.48 . . . . 74.23 112.855 -175.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 p -75.33 -1.24 22.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.401 0.619 . . . . 62.13 111.074 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.7 94.16 7.54 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 42.44 109.979 174.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' HB3' ' A' ' 74' ' ' LEU . 13.6 tp -63.07 141.53 97.72 Favored Pre-proline 0 N--CA 1.45 -0.445 0 N-CA-C 109.131 -0.692 . . . . 62.25 109.131 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 28.0 Cg_exo -63.85 150.9 87.37 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.055 1.837 . . . . 71.35 112.659 -174.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 3.1 Cg_exo -77.31 -25.28 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 123.093 2.529 . . . . 73.32 111.904 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.4 t -78.85 -22.61 12.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.929 -0.578 . . . . 72.11 110.767 -177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 80.4 mtp -83.73 -36.93 23.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 73.14 111.007 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -77.31 -21.8 52.91 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.915 -0.314 . . . . 72.12 110.502 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 57.19 -155.66 0.32 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.752 -0.658 . . . . 65.15 109.708 -175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -110.02 102.66 51.51 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.246 -0.65 . . . . 64.51 109.246 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -69.1 159.28 54.53 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.661 2.241 . . . . 61.02 112.251 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 9.2 m -88.05 100.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.768 0.794 . . . . 74.43 110.264 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.91 94.92 4.37 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.504 -0.771 . . . . 53.55 110.912 -175.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 119' ' ' ILE . 4.1 mp -119.22 76.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.655 -0.868 . . . . 54.02 108.655 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 t -100.15 -9.32 22.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.555 -0.748 . . . . 64.44 110.204 -175.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.429 -0.796 . . . . 43.41 110.417 177.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.911 0.386 . . . . 74.03 110.383 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.16 119.14 0.56 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.827 -0.701 . . . . 72.12 111.95 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -101.94 105.42 16.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.408 0.623 . . . . 74.32 109.715 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -70.24 140.54 52.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.918 -1.037 . . . . 65.45 111.627 -172.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -132.59 122.93 25.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.915 -0.584 . . . . 64.44 109.731 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -92.89 119.76 32.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 62.03 110.627 -173.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -88.44 138.4 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 72.23 111.686 -174.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -131.39 142.63 50.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.879 -0.6 . . . . 65.12 110.394 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 m -161.38 151.01 16.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 75.31 111.021 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -129.25 178.66 6.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.12 109.152 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 19.4 ptp -166.03 119.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.214 0.53 . . . . 70.35 110.159 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.64 90.95 6.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 64.22 110.635 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.86 114.6 28.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.808 -0.633 . . . . 60.3 110.509 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -113.64 134.4 22.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.068 -0.515 . . . . 70.44 110.235 176.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 161.93 43.57 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.832 2.355 . . . . 75.3 112.532 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -133.48 128.78 20.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.97 0.414 . . . . 64.43 110.513 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.66 151.15 16.93 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.779 2.319 . . . . 71.31 112.415 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -116.78 164.52 14.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.313 -0.858 . . . . 73.32 109.357 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.29 -155.61 26.95 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.236 -0.983 . . . . 51.55 112.381 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.07 170.13 13.35 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.954 -0.641 . . . . 74.3 111.649 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -136.66 97.81 3.64 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.499 -0.556 . . . . 72.43 109.499 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.5 mt -135.16 172.74 12.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 71.43 110.415 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 49.81 61.24 3.27 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.821 0.7 . . . . 74.34 111.82 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.6 m -97.89 -43.12 7.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.89 -0.595 . . . . 63.35 109.979 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.69 ' HH2' HD11 ' A' ' 104' ' ' LEU . 96.9 m95 -89.18 -19.84 24.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 74.3 111.007 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.03 141.41 52.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.046 -0.525 . . . . 75.14 110.431 177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -87.64 97.56 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.259 0.552 . . . . 73.53 110.081 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.74 169.29 17.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.224 -0.898 . . . . 51.5 110.443 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.3 t -53.02 -41.47 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.511 0.196 . . . . 60.33 110.608 175.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.66 -49.07 77.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 71.55 110.772 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.894 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 7.7 mm-40 -62.33 -32.88 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.142 0.496 . . . . 61.14 111.004 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -73.7 -49.89 23.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.98 -0.555 . . . . 75.34 110.284 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.55 -25.89 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.447 0.536 . . . . 64.43 112.447 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.894 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 16.5 ptmt -62.94 -25.16 68.21 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 111.727 0.269 . . . . 63.11 111.727 -174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 39' ' ' PHE . 10.6 p-80 -61.5 -32.31 72.34 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.066 0.46 . . . . 74.31 110.728 -177.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.41 -52.72 62.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.391 -0.822 . . . . 65.1 111.714 -176.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -68.68 -42.09 78.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 72.3 111.718 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.725 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . 2.3 mp0 -67.22 -38.56 85.47 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.121 -0.231 . . . . 74.5 111.343 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -60.13 -43.0 96.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.283 0.563 . . . . 75.22 109.616 178.038 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -55.45 -35.29 65.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.342 -0.844 . . . . 71.12 111.408 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.0 m -73.75 -17.84 61.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.779 0.659 . . . . 43.41 112.779 -173.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 57' ' ' PHE . 58.0 mt -91.52 3.07 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.261 -0.275 . . . . 75.51 111.556 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.2 mttp 59.26 70.46 1.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.691 -0.686 . . . . 74.41 111.605 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . 30.3 Cg_endo -65.58 134.86 39.84 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.024 1.816 . . . . 51.1 111.494 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.1 mp -74.8 -76.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.163 -0.471 . . . . 74.5 109.983 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.8 m -115.87 28.31 8.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.312 0.577 . . . . 74.52 109.95 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.57 55.26 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.507 -0.769 . . . . 64.23 111.993 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -128.39 151.79 48.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.797 0.332 . . . . 74.12 110.57 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -137.79 -178.27 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.543 -0.753 . . . . 72.31 109.174 175.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 52' ' ' ASP . 15.1 t -136.43 -172.29 3.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.614 -0.513 . . . . 74.33 109.614 176.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 54' ' ' ALA . . . -60.6 -22.95 60.06 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.498 -0.382 . . . . 73.42 113.474 -175.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.549 ' H ' HG23 ' A' ' 50' ' ' THR . 34.9 t70 -67.1 -43.66 81.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.821 0.31 . . . . 73.24 110.924 -179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -76.03 -38.44 57.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 63.32 110.088 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -58.56 -40.93 84.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.64 -0.709 . . . . 65.34 111.878 -177.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 13.3 ptp180 -63.22 -36.66 84.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.675 0.274 . . . . 60.31 110.954 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.98 -30.15 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 75.53 110.3 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.725 ' HE1' ' HB3' ' A' ' 38' ' ' GLN . 66.1 t80 -57.43 -59.44 5.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.679 -0.691 . . . . 75.42 111.542 -178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.618 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 14.3 p90 -78.28 -26.42 47.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.445 -0.502 . . . . 72.31 111.119 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -64.42 -39.8 94.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.024 0.44 . . . . 71.42 110.177 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.8 -23.64 65.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 62.53 110.758 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.9 t -61.23 -47.38 86.35 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.489 -0.323 . . . . 74.21 110.847 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.85 30.27 5.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.579 -0.819 . . . . 70.11 113.05 177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.5 mt -97.06 157.93 34.16 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.962 -0.384 . . . . 51.11 109.962 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 31.8 Cg_exo -59.87 151.14 73.44 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.67 2.247 . . . . 40.55 112.324 177.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mp0 -51.25 -50.89 73.25 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 113.109 0.781 . . . . 72.13 113.109 -176.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.5 Cg_exo -56.62 -34.15 94.91 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.064 1.843 . . . . 62.54 112.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 59.0 t -74.8 -37.33 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.76 -0.654 . . . . 71.01 110.229 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HB3' ' CD1' ' A' ' 58' ' ' PHE . 82.4 mt -62.09 -49.9 74.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.546 -0.752 . . . . 73.51 111.06 178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -35.35 76.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.707 -0.679 . . . . 74.21 110.88 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -64.84 -40.98 96.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.893 -0.594 . . . . 73.23 110.307 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.555 ' HA ' HD23 ' A' ' 94' ' ' LEU . 27.7 mt -55.76 -54.36 27.18 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 116.314 -0.403 . . . . 74.51 110.868 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -62.78 -47.6 82.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.702 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.86 70.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 73.03 111.553 -177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 74' ' ' LEU . 3.9 mt -79.23 -31.49 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.934 -0.575 . . . . 74.52 111.628 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.0 -63.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.471 -173.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.582 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 27.7 p-10 -85.35 86.23 7.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.804 0.811 . . . . 73.03 109.543 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -56.52 -29.26 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.883 -1.053 . . . . 75.54 111.196 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -71.67 -11.38 60.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 73.14 110.683 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' HA ' HD22 ' A' ' 79' ' ' ASN . 3.0 t-20 54.83 72.18 0.49 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.9 0.857 . . . . 75.2 109.212 -171.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 15.8 t70 -87.39 -39.34 15.36 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.548 -1.206 . . . . 61.13 109.828 -170.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.19 -12.32 68.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 71.41 111.93 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -119.88 -29.24 5.02 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.586 -0.524 . . . . 74.5 109.586 176.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 ttp 67.64 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.522 -1.217 . . . . 74.31 109.805 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.14 -179.1 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.953 -1.021 . . . . 72.13 110.225 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.64 -47.21 73.78 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.976 0.732 . . . . 71.54 112.976 -169.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.88 -44.38 92.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.047 0.451 . . . . 65.31 110.514 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.582 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 6.2 mp0 -66.68 -41.02 88.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.755 -0.657 . . . . 73.5 110.543 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.88 -31.92 72.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.815 -0.629 . . . . 74.24 110.9 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -72.1 -30.99 65.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.474 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 87' ' ' GLU . 12.7 tt -81.45 -21.0 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.856 0.36 . . . . 74.23 111.011 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.0 -16.87 63.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 74.03 111.078 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 25.7 mmt -59.31 -31.12 68.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 70.11 111.601 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.818 ' HG2' HD23 ' A' ' 97' ' ' LEU . 23.6 ttmm -83.31 -37.56 23.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.431 -0.35 . . . . 72.33 110.691 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -59.79 -42.11 92.68 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 121.205 -0.198 . . . . 73.31 111.186 -177.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.506 HG13 ' HE2' ' A' ' 57' ' ' PHE . 34.2 mm -59.92 -41.48 86.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.409 0.623 . . . . 70.22 109.945 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 13.1 tmtt? -69.15 -44.8 71.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.222 -0.899 . . . . 64.14 110.662 -176.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.818 HD23 ' HG2' ' A' ' 93' ' ' LYS . 4.4 pp -77.44 -33.21 54.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.007 0.373 . . . . 73.14 112.007 -176.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' A' ' 103' ' ' GLN . 38.3 mttp -68.71 -35.3 77.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.963 -0.295 . . . . 74.22 111.098 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.22 -23.26 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.407 -0.361 . . . . 71.13 110.667 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 27.4 mm-40 -83.05 -19.24 37.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 75.45 110.605 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 120.44 63.88 0.26 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.575 -0.821 . . . . 41.32 113.107 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -144.34 162.24 36.93 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.207 -0.294 . . . . 73.42 110.207 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.528 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 63.7 tt0 -129.37 -45.93 1.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.221 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HH2' ' A' ' 25' ' ' TRP . 10.0 mp 72.76 158.58 0.16 Allowed Pre-proline 0 N--CA 1.47 0.553 0 O-C-N 123.764 0.665 . . . . 74.43 112.008 178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.0 -163.69 0.2 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.999 2.466 . . . . 65.42 111.764 174.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.6 p -85.75 8.59 19.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.487 0.661 . . . . 73.11 111.195 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -135.61 114.32 11.9 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.007 -0.997 . . . . 65.12 110.523 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.93 155.79 75.08 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.503 -0.317 . . . . 75.04 110.927 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.07 153.8 30.77 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.982 2.454 . . . . 74.15 113.185 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HA ' ' HG2' ' A' ' 113' ' ' LYS . 31.7 Cg_endo -63.25 -20.25 70.26 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.261 2.641 . . . . 65.13 112.851 -177.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.5 -29.47 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 75.22 110.672 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 59.8 mtp -79.14 -36.93 39.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.883 -0.327 . . . . 62.0 110.648 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HG2' ' HA ' ' A' ' 110' ' ' PRO . 20.3 ptmt -82.98 -7.28 59.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.947 0.403 . . . . 75.51 110.121 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.29 178.98 0.21 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.97 -1.013 . . . . 72.32 112.392 174.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.666 ' HA ' HE21 ' A' ' 115' ' ' GLN . 0.0 OUTLIER -88.52 129.78 47.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.153 -0.931 . . . . 75.43 109.347 176.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.21 115.8 2.62 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.709 2.273 . . . . 75.13 113.087 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.57 167.99 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 114.901 -1.045 . . . . 60.35 110.002 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 55.18 31.29 16.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.171 0.51 . . . . 62.43 111.108 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.5 tt -99.94 133.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.804 -0.635 . . . . 64.25 110.952 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.8 m -87.25 172.37 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.993 -0.549 . . . . 75.3 110.74 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.849 -0.596 . . . . 73.54 110.35 179.353 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.004 -0.369 . . . . 73.05 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.25 70.02 0.26 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.062 -0.589 . . . . 74.51 112.159 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -92.92 133.95 35.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.999 0.428 . . . . 71.23 111.232 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -126.41 69.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 73.11 110.238 174.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -85.82 94.3 9.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.554 -0.535 . . . . 74.11 109.554 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -137.25 -60.56 0.67 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 74.3 110.606 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.5 m170 62.61 178.05 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.756 -0.656 . . . . 71.43 111.576 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 m170 59.7 79.23 0.24 Allowed 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.492 -0.558 . . . . 72.14 109.492 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -121.16 96.37 5.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 70.22 111.932 -171.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -102.22 -66.11 0.95 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.677 -0.86 . . . . 74.55 108.677 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.7 mtt 42.29 89.38 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.294 0.996 . . . . 62.44 113.62 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.26 84.29 2.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.903 0.382 . . . . 72.35 110.267 175.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.97 168.81 12.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 64.2 110.159 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -122.82 91.43 49.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.977 0.418 . . . . 73.12 111.225 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -83.43 158.24 14.66 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.081 2.521 . . . . 73.14 110.329 170.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -156.83 133.84 6.56 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-O 120.846 0.355 . . . . 60.01 110.933 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.71 171.76 17.58 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.763 2.309 . . . . 65.31 111.672 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.46 140.57 30.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.933 0.397 . . . . 72.45 110.941 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.83 62.52 0.69 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.892 -0.671 . . . . 71.21 111.988 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.46 71.25 3.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.007 -0.616 . . . . 64.14 112.294 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 22' ' ' LEU . 15.0 m -123.18 179.84 4.55 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.947 -0.39 . . . . 71.51 109.947 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 21' ' ' SER . 61.5 tp 73.69 138.89 0.06 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 123.742 0.651 . . . . 75.13 112.08 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.17 33.49 20.64 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.45 -0.796 . . . . 62.14 112.31 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -69.62 -22.49 63.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.389 0.614 . . . . 75.42 110.274 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' HH2' HD23 ' A' ' 104' ' ' LEU . 42.3 m95 -78.87 -2.38 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 73.32 111.201 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.7 164.24 11.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.946 -0.57 . . . . 75.43 110.1 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.7 mt -91.37 90.53 3.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.291 0.567 . . . . 74.5 110.24 177.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -70.23 162.33 28.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.517 -0.765 . . . . 71.12 110.324 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.56 -35.83 46.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 71.14 110.475 175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.99 -44.81 95.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 72.41 110.033 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 92' ' ' MET . 16.5 mm-40 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.947 -0.57 . . . . 75.45 110.562 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 54.3 ttt-85 -65.43 -51.47 60.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.809 -0.632 . . . . 73.24 110.356 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.63 90.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.023 -0.535 . . . . 71.14 110.531 178.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.83 -51.92 66.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.903 -0.589 . . . . 63.44 111.927 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 9.8 p80 -61.99 -31.81 72.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.519 -0.472 . . . . 74.41 110.999 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.97 -44.35 73.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.876 0.37 . . . . 74.44 110.269 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -64.3 -40.23 95.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.051 -0.522 . . . . 62.13 110.297 176.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -61.8 -46.57 88.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 71.22 109.648 177.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 4.8 t80 -60.43 -41.51 94.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.89 -1.05 . . . . 74.34 110.191 179.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -60.25 -40.28 89.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.435 -0.802 . . . . 75.54 110.583 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.1 m -75.3 -18.31 60.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.848 -0.615 . . . . 75.12 111.855 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.572 HD21 ' HD2' ' A' ' 57' ' ' PHE . 74.1 mt -77.98 -12.6 60.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.67 -0.241 . . . . 65.35 110.782 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 13.0 mptt 66.15 80.99 0.22 Allowed Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 74.32 110.608 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 19.4 Cg_endo -59.34 149.08 83.43 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.946 2.431 . . . . 73.13 111.618 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 48' ' ' PHE . 11.3 tp -81.57 -32.59 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.044 0.449 . . . . 72.5 111.077 -175.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -163.75 45.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.631 0.729 . . . . 72.2 109.171 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.04 -16.47 60.84 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.413 -0.812 . . . . 62.21 111.692 -175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.6 p90 -135.15 163.44 29.92 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.706 -0.479 . . . . 73.11 109.706 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.534 HG23 ' CZ ' ' A' ' 39' ' ' PHE . 41.8 pt -99.59 -164.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.727 -0.842 . . . . 52.24 108.727 174.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 12.2 t -147.96 177.32 9.45 Favored 'General case' 0 C--N 1.315 -0.916 0 C-N-CA 120.459 -0.496 . . . . 60.12 110.036 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' A' ' 55' ' ' ARG . . . -55.0 -47.89 70.36 Favored Glycine 0 C--O 1.228 -0.25 0 O-C-N 123.352 0.408 . . . . 34.44 113.801 -173.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -62.56 -40.47 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.273 0.559 . . . . 74.32 110.517 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.6 -31.53 68.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 53.11 110.555 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.52 -47.33 79.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 72.24 110.113 173.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 51' ' ' GLY . 94.9 mtt180 -59.56 -40.75 88.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.607 -0.724 . . . . 61.52 110.373 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -54.03 -50.74 66.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.572 -0.74 . . . . 73.32 111.063 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.572 ' HD2' HD21 ' A' ' 42' ' ' LEU . 59.4 t80 -57.39 -48.83 78.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.618 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.628 ' HB3' HD22 ' A' ' 68' ' ' LEU . 17.6 m-30 -61.57 -48.55 80.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 75.44 110.698 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -61.38 -41.05 96.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.981 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -69.37 -9.66 54.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 75.53 111.367 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -84.22 -16.48 43.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.421 -0.354 . . . . 62.34 111.053 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.18 38.21 6.85 Favored Glycine 0 C--O 1.228 -0.247 0 C-N-CA 120.623 -0.798 . . . . 41.03 113.216 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 71.4 mt -113.88 147.87 38.65 Favored Pre-proline 0 C--N 1.323 -0.56 0 O-C-N 122.713 -0.286 . . . . 75.21 110.433 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.535 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 26.4 Cg_exo -63.96 158.9 44.9 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.855 2.37 . . . . 64.23 112.61 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 55.3 mt-30 -54.19 -53.09 62.82 Favored Pre-proline 0 N--CA 1.467 0.41 0 N-CA-C 112.997 0.74 . . . . 72.22 112.997 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -59.35 -21.58 61.45 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.211 1.941 . . . . 70.11 112.209 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 62.3 t -85.7 -44.59 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.052 -0.522 . . . . 73.41 109.928 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 58' ' ' PHE . 82.3 mt -56.02 -50.18 71.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.43 0.633 . . . . 70.53 110.682 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -28.84 70.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.02 -0.991 . . . . 55.43 110.474 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' VAL . 23.1 tp60 -67.08 -45.21 77.97 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.645 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 95' ' ' ILE . 2.5 mp -69.95 -37.81 73.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.259 -0.577 . . . . 54.22 110.438 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -62.78 -46.84 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.963 -0.295 . . . . 75.24 110.27 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.62 67.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.999 0.428 . . . . 70.42 110.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.72 HD21 ' HA ' ' A' ' 106' ' ' SER . 19.9 mt -80.18 -39.05 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 72.35 111.957 177.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . . . -70.63 -71.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.622 0.601 . . . . 63.52 112.622 -168.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.773 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 4.0 p-10 -75.29 92.82 2.79 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 122.163 0.982 . . . . 73.12 109.524 178.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 56.4 mtm -62.29 -29.39 70.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.325 -1.307 . . . . 72.53 110.777 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 80' ' ' ASP . 1.5 p30 -83.23 -13.67 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 64.32 109.942 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.773 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 t-20 44.9 76.69 0.08 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.985 -1.007 . . . . 72.43 111.405 -175.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.531 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 9.3 p-10 -96.95 -36.66 10.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 61.14 110.529 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.51 6.5 38.36 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.694 -0.765 . . . . 73.4 112.676 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -121.34 -32.19 3.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.636 -0.505 . . . . 75.22 109.636 172.422 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.7 ttm 71.62 99.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.946 -1.025 . . . . 63.25 110.536 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' OD2' HG12 ' A' ' 86' ' ' VAL . 26.2 t70 -67.26 168.68 10.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.487 -0.779 . . . . 75.45 109.934 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.62 -33.89 75.91 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.334 -0.393 . . . . 64.13 110.593 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' OD2' ' A' ' 84' ' ' ASP . 9.2 p -69.55 -39.43 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.826 0.346 . . . . 52.42 110.282 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 4.2 mm-40 -68.71 -39.51 80.42 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.604 0.716 . . . . 72.3 109.341 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -66.2 -31.49 72.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.837 . . . . 75.35 111.081 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.6 m -59.83 -31.61 69.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.225 -0.443 . . . . 64.24 111.891 -175.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' GLU . 17.3 tt -86.7 -26.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 34.53 110.767 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . -76.58 -34.08 58.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.407 . . . . 51.4 111.699 -176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.12 -23.25 67.35 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.509 0.559 . . . . 74.11 112.509 -173.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HD2' ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -100.4 -28.85 12.72 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.774 -0.37 . . . . 72.44 110.793 177.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.57 -38.57 84.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 64.31 111.75 -175.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG12 HG21 ' A' ' 71' ' ' ILE . 15.7 mm -61.1 -49.45 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.37 . . . . 41.32 110.677 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 99' ' ' LEU . 56.6 mmtt -66.95 -35.1 79.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.264 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 17.4 tp -59.72 -40.55 88.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.7 -0.682 . . . . 64.14 110.327 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -67.37 -38.76 85.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.564 -0.744 . . . . 64.21 110.064 178.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 96' ' ' LYS . 74.0 mt -68.31 -29.95 68.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.824 -0.625 . . . . 64.1 111.226 179.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 14.0 mm100 -74.5 -13.35 60.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 70.01 110.952 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.06 17.51 40.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.884 -0.675 . . . . 71.42 113.185 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 86.8 m-85 -87.85 158.65 18.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.136 0.494 . . . . 74.01 110.421 178.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -87.24 138.4 31.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.76 -0.655 . . . . 43.34 110.626 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 ' HH2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -168.32 88.4 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 74.11 109.997 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.54 -162.98 0.19 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 123.697 2.931 . . . . 71.15 112.702 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.72 ' HA ' HD21 ' A' ' 74' ' ' LEU . 2.8 p -69.96 -1.4 9.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.633 -0.712 . . . . 72.05 111.804 -175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.75 105.01 17.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.522 -0.763 . . . . 73.22 110.91 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.486 HD11 ' O ' ' A' ' 74' ' ' LEU . 21.7 mt -72.32 143.51 85.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.458 -0.337 . . . . 75.23 110.398 177.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 108' ' ' LEU . 5.6 Cg_exo -75.15 153.51 41.15 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.921 2.414 . . . . 73.4 111.989 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -40.36 62.31 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.937 2.425 . . . . 72.34 112.658 -178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.1 -21.94 27.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 53.3 111.288 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.585 ' SD ' ' HD2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -89.59 -40.01 12.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.694 -0.685 . . . . 71.23 111.81 -178.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.53 -46.04 18.11 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 73.0 111.433 -177.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.672 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 26.7 mm-40 52.84 -152.64 0.26 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.224 0.327 . . . . 64.43 111.075 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.672 ' HG2' ' O ' ' A' ' 114' ' ' GLN . 5.7 pt20 61.5 165.79 0.1 Allowed Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.612 1.165 . . . . 72.23 112.907 170.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -76.94 133.76 14.05 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.733 2.289 . . . . 51.32 111.758 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.9 m -107.44 153.63 8.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.266 -0.425 . . . . 73.43 110.324 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.03 91.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.875 0.734 . . . . 62.15 111.003 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.1 mm -105.76 107.02 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.046 -0.525 . . . . 73.32 110.13 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 m -147.62 165.05 31.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.976 -0.556 . . . . 71.3 109.731 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.459 -0.781 . . . . 60.42 109.863 -177.762 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 110.058 -0.349 . . . . 65.41 110.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.73 38.15 24.65 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.577 -1.009 . . . . 74.5 110.577 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -77.86 88.02 4.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.38 0.61 . . . . 71.12 111.066 -175.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -146.12 93.74 2.37 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.777 0.799 . . . . 74.42 109.079 172.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -143.8 100.37 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.299 -0.864 . . . . 74.42 109.896 -175.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.89 125.86 32.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.472 -0.331 . . . . 71.34 110.794 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -153.4 147.84 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.48 -0.563 . . . . 74.31 109.48 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -120.34 131.13 54.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.334 -0.247 . . . . 73.35 110.334 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -142.67 142.87 32.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 64.22 111.416 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -137.89 126.03 22.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.548 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.1 ttt -140.27 87.87 2.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.054 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.01 120.91 33.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.859 -0.609 . . . . 72.13 110.576 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -152.13 105.04 3.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.753 -0.658 . . . . 75.44 109.796 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -125.52 115.51 25.14 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.853 0.359 . . . . 62.12 110.896 -175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.08 143.54 10.33 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.909 2.406 . . . . 72.54 112.478 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -133.6 89.11 32.02 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 74.22 111.529 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -90.39 -177.53 1.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.797 2.331 . . . . 72.21 112.708 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -152.48 151.25 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.629 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.76 -151.66 7.12 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.311 -0.716 . . . . 74.4 111.311 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.28 -165.56 39.41 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.599 -0.81 . . . . 71.11 112.279 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.2 m 65.63 23.65 11.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.13 0.491 . . . . 44.13 111.27 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.732 ' HG ' ' H ' ' A' ' 23' ' ' ASP . 15.8 tp -149.34 -172.46 4.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.888 -0.782 . . . . 73.0 108.888 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.732 ' H ' ' HG ' ' A' ' 22' ' ' LEU . 13.2 m-20 55.02 28.92 11.43 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 121.506 0.669 . . . . 75.42 110.631 -178.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 m -75.12 -39.5 60.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.42 -0.809 . . . . 74.31 111.285 -174.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -94.19 -20.68 19.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.972 0.415 . . . . 73.53 111.083 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.44 143.08 55.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.96 -0.564 . . . . 74.01 110.808 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -103.45 88.41 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 29' ' ' VAL . 1.8 m -75.63 176.5 7.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.017 -0.992 . . . . 74.43 110.128 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.579 ' H ' HG22 ' A' ' 28' ' ' THR . 57.7 t -54.65 -37.13 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.802 0.334 . . . . 54.14 111.073 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -64.4 -41.51 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 65.13 111.222 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 8.6 mm-40 -73.62 -30.73 63.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 74.31 110.485 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -67.36 -52.29 41.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.081 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -20.01 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.099 0.476 . . . . 61.15 111.067 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 9.5 tptm -56.29 -39.29 72.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.825 . . . . 64.31 110.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -57.8 -27.83 63.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.888 -0.597 . . . . 74.34 111.939 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.77 -55.51 25.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.47 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -68.16 -42.91 79.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 71.12 110.408 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' HG3' ' SD ' ' A' ' 92' ' ' MET . 84.6 mm-40 -58.44 -51.29 70.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 61.14 111.12 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.02 -36.18 83.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.072 -0.513 . . . . 75.52 110.853 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.3 m170 -71.02 -32.59 69.4 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.32 -0.4 . . . . 74.5 110.98 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 t -77.16 -19.38 56.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.467 -0.333 . . . . 73.2 110.682 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.3 tp -71.05 -10.11 59.19 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.001 -0.545 . . . . 53.01 110.367 177.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 57.41 80.84 0.27 Allowed Pre-proline 0 N--CA 1.453 -0.286 0 CA-C-N 115.174 -0.921 . . . . 73.15 111.945 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' HB2' ' H ' ' A' ' 47' ' ' GLY . 43.2 Cg_endo -71.47 149.73 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.244 1.963 . . . . 74.24 111.447 173.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.46 -42.49 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.113 0.483 . . . . 74.12 110.439 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -155.66 14.95 0.36 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.371 0.605 . . . . 60.32 109.538 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' H ' ' HB2' ' A' ' 44' ' ' PRO . . . 126.17 -14.79 6.95 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.417 -0.81 . . . . 63.22 111.093 -171.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -117.24 159.76 22.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.912 -0.403 . . . . 54.22 109.912 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.629 ' HB ' ' OE1' ' A' ' 53' ' ' GLN . 2.5 pp -131.75 -174.67 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.025 -0.534 . . . . 75.51 109.745 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.7 t -161.37 173.06 15.5 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.577 -0.449 . . . . 52.14 111.25 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.73 -45.16 96.83 Favored Glycine 0 CA--C 1.521 0.454 0 CA-C-N 116.027 -0.533 . . . . 72.33 113.671 -174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -59.73 -43.39 94.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.622 0.249 . . . . 72.31 111.445 -176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' OE1' ' HB ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.94 -31.93 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.891 -0.323 . . . . 75.15 110.534 -179.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.4 90.94 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.878 0.371 . . . . 72.42 110.556 177.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -52.89 -43.78 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 62.31 111.354 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -70.73 -50.42 36.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.259 -0.428 . . . . 63.34 110.751 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -56.63 -49.15 75.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.802 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HB3' HD22 ' A' ' 68' ' ' LEU . 4.9 m-85 -59.01 -46.38 88.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 73.3 111.266 178.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' HA ' HD11 ' A' ' 68' ' ' LEU . 58.1 t80 -67.34 -31.02 71.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.065 0.459 . . . . 61.25 110.947 -176.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.55 5.52 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.1 -0.5 . . . . 75.35 112.29 -178.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 99' ' ' LEU . 87.5 p -83.26 -31.02 27.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 74.31 110.01 175.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.81 9.95 15.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.847 -0.692 . . . . 61.44 112.483 -177.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.599 ' HB2' HD21 ' A' ' 68' ' ' LEU . 78.8 mt -99.88 144.45 28.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 110.299 -0.26 . . . . 64.22 110.299 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 23.6 Cg_exo -66.24 152.84 80.13 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.919 2.413 . . . . 75.44 112.121 175.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.458 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 26.5 mt-30 -55.65 -47.65 98.22 Favored Pre-proline 0 CA--C 1.536 0.429 0 N-CA-C 113.293 0.849 . . . . 71.21 113.293 -176.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 51.2 Cg_exo -54.99 -36.41 92.41 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.809 1.673 . . . . 72.24 112.008 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 57.5 t -73.78 -37.97 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.64 . . . . 63.34 110.361 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 58' ' ' PHE . 95.5 mt -64.55 -46.13 84.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.56 -0.745 . . . . 44.43 111.024 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.22 -32.85 64.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.203 -0.908 . . . . 55.51 111.043 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.77 -38.07 85.83 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.985 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 95' ' ' ILE . 90.9 mt -67.83 -43.72 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 74.33 110.16 178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -67.15 -45.34 77.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 75.22 110.893 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.33 -20.57 64.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.11 0.481 . . . . 62.45 110.62 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.919 HD22 ' HG ' ' A' ' 108' ' ' LEU . 13.7 mt -91.52 -27.3 18.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.526 -0.761 . . . . 74.32 111.823 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.54 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.132 -0.485 . . . . 62.22 111.181 -175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.567 ' OD2' ' HA ' ' A' ' 79' ' ' ASN . 1.8 p-10 -83.13 96.09 8.29 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.795 -0.817 . . . . 65.41 108.795 171.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 63.1 mtm -59.21 -30.8 68.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.58 -1.191 . . . . 65.33 112.039 -176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -76.42 -12.19 60.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.404 0.621 . . . . 72.31 109.606 176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.567 ' HA ' ' OD2' ' A' ' 76' ' ' ASP . 3.2 t-20 52.2 71.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.68 -1.146 . . . . 73.22 111.593 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -87.59 -16.33 34.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.269 -0.878 . . . . 54.42 109.453 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.71 34.59 48.47 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.704 -0.76 . . . . 62.33 112.308 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 82' ' ' ARG . 22.8 mtt180 -140.13 -21.99 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.851 0.315 . . . . 65.42 111.851 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.0 ptp 45.79 -164.74 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.102 0.876 . . . . 74.32 111.593 -168.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' HB3' ' OE1' ' A' ' 87' ' ' GLU . 16.9 t70 -176.76 179.78 1.06 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.675 -1.232 . . . . 60.11 107.675 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.479 ' H ' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -72.28 -24.57 61.36 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.773 -0.454 . . . . 61.32 109.773 178.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.35 -52.92 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 63.42 109.891 175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.522 ' O ' HG22 ' A' ' 90' ' ' ILE . 16.3 mp0 -68.01 -34.64 76.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.341 -0.391 . . . . 45.15 111.082 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.44 -28.26 69.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.74 -0.209 . . . . 70.04 111.0 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -62.63 -26.46 68.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 52.3 110.786 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 87' ' ' GLU . 14.1 tt -98.03 -24.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 75.15 110.32 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.25 -33.38 56.04 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.935 -0.575 . . . . 44.23 111.556 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.442 ' SD ' ' HG3' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -61.07 -28.73 69.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.946 0.403 . . . . 73.54 110.937 -178.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD3' ' CE ' ' A' ' 112' ' ' MET . 53.2 tttp -71.58 -29.65 64.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.0 -0.545 . . . . 61.15 109.768 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -26.17 53.86 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.067 -0.515 . . . . 53.34 111.125 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.778 HD13 HD13 ' A' ' 71' ' ' ILE . 29.0 mm -61.98 -52.07 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.294 -0.632 . . . . 73.42 109.294 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -64.75 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.636 -0.711 . . . . 74.23 110.976 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.736 ' HG ' ' HB2' ' A' ' 102' ' ' TYR . 22.3 tp -59.92 -47.19 86.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 74.2 111.07 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.623 ' HD2' HD11 ' A' ' 71' ' ' ILE . 53.0 mttm -73.49 -33.53 64.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 71.44 111.407 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' SER . 79.7 mt -67.3 -30.84 70.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.353 -0.385 . . . . 74.42 110.502 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -74.07 -25.82 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.307 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.69 23.17 2.35 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.453 -0.88 . . . . 71.13 113.825 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.736 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 73.8 m-85 -102.63 149.53 24.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.691 0.757 . . . . 63.3 111.208 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -140.9 93.77 2.64 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.724 -1.126 . . . . 62.44 110.269 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -104.35 148.11 35.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.398 -0.819 . . . . 54.01 109.693 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' O ' HD11 ' A' ' 74' ' ' LEU . 91.7 Cg_endo -78.44 -162.19 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 123.52 2.813 . . . . 70.43 112.791 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.528 ' HA ' HD21 ' A' ' 74' ' ' LEU . 32.5 p -71.79 9.56 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.71 . . . . 41.25 111.999 -175.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.06 94.97 6.04 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.547 -0.751 . . . . 75.33 111.429 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.919 ' HG ' HD22 ' A' ' 74' ' ' LEU . 13.5 mt -73.0 143.63 84.24 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.8 -0.445 . . . . 64.32 109.8 172.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 11.9 Cg_exo -71.95 152.26 57.3 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.252 1.968 . . . . 73.32 112.081 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_exo -67.76 -22.59 43.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.928 2.419 . . . . 72.31 112.468 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 44.8 t -73.62 -29.89 27.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.34 -0.391 . . . . 60.24 111.28 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.468 ' CE ' ' HD3' ' A' ' 93' ' ' LYS . 79.3 mtp -81.68 -41.3 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.014 0.435 . . . . 73.1 110.89 -178.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -79.68 -27.11 40.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.118 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 88.1 mt-30 55.02 -167.53 0.09 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.914 -0.584 . . . . 74.31 109.62 -171.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 114' ' ' GLN . 8.7 pt20 55.15 170.74 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.783 0 C-N-CA 123.99 0.916 . . . . 64.53 112.551 176.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.99 -172.83 0.76 Allowed 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 122.628 2.219 . . . . 72.43 112.396 177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.58 133.1 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.229 0.538 . . . . 60.15 110.975 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -98.2 -11.84 22.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 60.44 110.035 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.2 mt -123.44 125.62 71.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.269 -0.878 . . . . 43.44 109.718 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.3 m -74.35 109.89 8.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.994 0.426 . . . . 75.45 110.533 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.622 -0.704 . . . . 63.34 109.879 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.812 0.339 . . . . 74.1 110.428 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.73 117.88 0.83 Allowed Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.196 -0.761 . . . . 74.21 111.196 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -75.94 -46.5 29.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.428 0.158 . . . . 70.03 111.428 -173.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 57.66 32.73 22.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.584 0.707 . . . . 75.24 109.319 -172.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -113.48 127.82 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.182 -0.917 . . . . 75.04 111.241 -171.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 70.47 97.5 0.07 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.959 0.787 . . . . 73.53 111.626 172.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -129.29 -175.3 3.53 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.854 -0.795 . . . . 62.43 108.854 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -89.17 90.86 8.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.137 0.494 . . . . 71.21 109.764 176.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -70.42 114.56 8.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.422 -0.808 . . . . 64.25 110.939 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -117.27 -47.15 2.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.836 -0.431 . . . . 74.33 109.836 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 90.2 mmm 62.17 13.89 6.2 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.612 -0.722 . . . . 75.32 112.521 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.13 6.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 60.54 110.011 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -140.76 -42.86 0.39 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 75.32 110.291 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 63.66 85.66 0.16 Allowed Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.918 0.761 . . . . 71.53 110.682 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.57 106.94 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.004 2.469 . . . . 70.33 112.318 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.642 ' HB ' ' HD3' ' A' ' 17' ' ' PRO . 47.3 m -116.59 -50.21 0.04 OUTLIER Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 114.506 -1.224 . . . . 75.15 110.956 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HD3' ' HB ' ' A' ' 16' ' ' THR . 72.4 Cg_exo -50.53 122.24 9.23 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.391 2.061 . . . . 71.51 112.303 174.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -113.61 -177.34 3.11 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.555 -0.748 . . . . 74.55 110.953 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.69 -170.81 12.18 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 111.579 -0.608 . . . . 73.24 111.579 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.0 179.14 26.48 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.593 -0.813 . . . . 33.44 112.328 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -121.99 122.74 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.642 0.258 . . . . 63.44 110.414 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.2 tp -123.1 -11.54 8.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.388 0.613 . . . . 74.14 110.268 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -128.67 125.42 38.01 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.56 -0.746 . . . . 74.1 109.161 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -130.16 -48.16 1.1 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.536 -0.757 . . . . 64.13 110.906 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.401 ' HE3' ' SD ' ' A' ' 112' ' ' MET . 98.4 m95 -78.68 -25.63 44.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.39 . . . . 72.34 111.125 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.33 143.66 52.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 65.21 111.083 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.8 mt -96.12 95.37 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.363 0.601 . . . . 71.43 110.051 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -74.43 164.04 27.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.241 -0.89 . . . . 73.33 110.06 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.67 -33.81 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.964 0.411 . . . . 72.12 111.032 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.87 -46.22 91.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.779 -0.646 . . . . 72.44 110.62 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.97 -38.49 91.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.179 0.514 . . . . 74.0 110.07 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 35' ' ' HIS . 25.1 ttp85 -67.88 -47.91 67.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.751 -0.659 . . . . 63.44 110.843 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.13 80.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.113 -0.494 . . . . 72.43 111.003 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HD3' ' SD ' ' A' ' 92' ' ' MET . 13.3 tttt -62.15 -26.73 68.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 74.24 110.813 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 32' ' ' ARG . 10.5 m-70 -58.26 -47.33 83.92 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.869 0.366 . . . . 74.11 110.279 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.78 -42.24 88.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.365 -0.834 . . . . 70.51 111.206 -172.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -61.65 -46.91 87.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.094 -0.503 . . . . 71.32 111.153 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.2 mt-30 -75.78 -38.64 58.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.365 . . . . 63.24 110.484 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.502 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 11.8 t80 -61.11 -41.98 97.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 53.02 110.076 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -55.31 -42.43 73.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.498 -0.774 . . . . 73.33 110.347 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 m -75.59 -19.0 59.55 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.441 -0.8 . . . . 75.11 111.669 -175.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.564 HD21 ' HD1' ' A' ' 57' ' ' PHE . 85.9 mt -76.19 -12.93 60.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.785 0.291 . . . . 72.42 111.785 -176.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.761 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 66.23 68.24 0.64 Allowed Pre-proline 0 C--O 1.234 0.269 0 O-C-N 123.616 0.572 . . . . 75.53 110.448 -174.58 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 39' ' ' PHE . 43.7 Cg_endo -70.6 158.9 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.361 2.04 . . . . 73.34 112.039 177.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.9 mp -101.22 106.11 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.688 -0.856 . . . . 72.41 108.688 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.2 t 65.93 -74.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 123.822 0.702 . . . . 64.14 110.447 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.71 27.66 0.24 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.67 -0.572 . . . . 45.05 111.67 178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -146.01 165.99 27.41 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.919 0.39 . . . . 74.04 111.126 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.9 pt -143.7 -176.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.673 -0.694 . . . . 61.3 109.825 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -143.91 -179.36 6.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.252 -0.647 . . . . 71.12 109.252 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.98 62.04 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.565 -0.35 . . . . 52.22 113.575 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.64 -42.81 97.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 74.3 110.813 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.8 -42.32 41.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.299 -0.41 . . . . 74.24 110.699 175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.91 86.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.604 . . . . 63.12 111.943 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.754 ' HA ' ' CZ ' ' A' ' 58' ' ' PHE . 14.6 ptm180 -60.9 -36.72 80.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 73.31 111.282 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.57 -33.05 75.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.53 -0.305 . . . . 75.22 111.002 -177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.564 ' HD1' HD21 ' A' ' 42' ' ' LEU . 68.7 t80 -60.16 -58.28 9.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 65.44 111.19 -178.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.754 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 11.7 p90 -77.26 -22.5 52.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.169 -0.612 . . . . 65.22 111.37 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.5 -31.91 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 72.04 110.382 175.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -67.14 -9.55 41.04 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.742 -0.663 . . . . 61.05 111.964 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB2' HD21 ' A' ' 99' ' ' LEU . 90.0 p -70.35 -40.94 73.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 71.22 110.949 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.42 11.33 29.44 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.673 -0.775 . . . . 71.04 111.709 -174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -83.19 157.38 65.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.274 -0.269 . . . . 74.11 110.274 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 19.6 Cg_exo -67.22 152.76 79.02 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.703 2.269 . . . . 70.14 112.182 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HD3' ' A' ' 66' ' ' PRO . 48.7 mt-30 -54.37 -45.7 99.23 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 112.974 0.731 . . . . 65.12 112.974 -176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' A' ' 65' ' ' GLN . 75.3 Cg_exo -52.62 -41.7 66.97 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.018 1.812 . . . . 73.42 112.47 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -73.18 -39.84 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 64' ' ' PRO . 88.3 mt -58.38 -48.56 80.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.626 -0.715 . . . . 73.45 110.687 176.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.81 71.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.201 -0.909 . . . . 73.35 110.874 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.41 -41.16 73.31 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.302 -0.408 . . . . 61.03 110.871 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -54.74 -46.43 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.956 0.408 . . . . 74.24 110.079 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.825 ' HZ2' ' HA2' ' A' ' 81' ' ' GLY . 20.7 t90 -66.14 -43.7 86.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.623 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.83 94.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.121 0.415 . . . . 40.41 112.121 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.848 ' HG ' ' HA ' ' A' ' 106' ' ' SER . 7.3 mp -77.94 -34.33 51.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 72.42 111.325 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.34 -42.92 43.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.188 -0.46 . . . . 74.31 112.188 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.698 ' HA ' ' HG2' ' A' ' 87' ' ' GLU . 26.9 t0 -76.1 76.59 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.075 -0.713 . . . . 70.01 109.075 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 64.0 mtm -63.57 -30.56 71.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.121 -0.945 . . . . 72.23 111.495 -174.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -84.99 -11.66 54.98 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.946 0.403 . . . . 75.32 110.01 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.97 49.77 13.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.543 -0.753 . . . . 74.13 109.096 -177.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 82' ' ' ARG . 36.7 t70 -78.09 -34.99 49.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.458 -0.792 . . . . 74.32 109.943 -176.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.825 ' HA2' ' HZ2' ' A' ' 72' ' ' TRP . . . 90.99 2.57 71.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.611 -0.804 . . . . 61.22 111.709 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HB2' ' OD2' ' A' ' 80' ' ' ASP . 52.1 mtp85 -117.63 -26.18 6.67 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.227 -0.486 . . . . 64.04 110.838 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.1 ttm 62.51 91.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.205 0.941 . . . . 74.11 110.163 -173.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -76.93 165.85 24.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.388 -0.597 . . . . 73.32 109.388 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 88' ' ' PHE . 37.3 mm-40 -52.26 -25.99 10.78 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.39 0.515 . . . . 71.43 112.39 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.14 -50.45 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 73.51 110.311 175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.698 ' HG2' ' HA ' ' A' ' 76' ' ' ASP . 2.3 mp0 -67.18 -36.82 82.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.055 0.455 . . . . 70.44 110.237 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' A' ' 85' ' ' GLN . 90.9 t80 -60.8 -33.51 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.873 -0.603 . . . . 64.22 110.391 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 t -59.1 -42.22 89.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.676 -0.693 . . . . 65.44 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 tt -89.36 -28.54 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.285 -0.416 . . . . 74.21 110.998 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -36.53 84.72 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.981 0.42 . . . . 74.2 111.107 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.504 ' SD ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 ttp -64.54 -29.75 70.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.412 0.625 . . . . 73.12 110.53 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -85.79 -30.51 22.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.495 -0.775 . . . . 54.13 110.609 -174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.03 -39.71 93.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.117 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.1 mt -54.94 -43.82 70.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 73.23 111.217 -176.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -56.7 -45.91 81.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 62.22 110.97 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 102' ' ' TYR . 3.8 mm? -80.25 -33.52 37.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.097 -0.501 . . . . 63.21 111.024 -177.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -63.16 -39.47 94.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.727 -0.215 . . . . 74.55 110.924 178.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 61' ' ' SER . 71.9 mt -65.12 -28.07 69.18 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.474 0.484 . . . . 53.34 110.959 178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -79.33 -26.18 42.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 75.52 110.352 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.66 43.39 2.5 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.42 114.097 172.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CE1' ' HE2' ' A' ' 98' ' ' LYS . 4.1 p90 -86.3 169.46 12.95 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 117.488 0.644 . . . . 73.21 110.001 173.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -140.64 136.89 33.16 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.376 -0.829 . . . . 61.04 110.293 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HG ' ' HD2' ' A' ' 105' ' ' PRO . 20.0 tp -165.78 146.93 5.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.695 -0.854 . . . . 74.21 108.695 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HD2' ' HG ' ' A' ' 104' ' ' LEU . 33.5 Cg_exo -59.0 171.6 2.08 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.711 2.274 . . . . 71.52 112.892 176.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.848 ' HA ' ' HG ' ' A' ' 74' ' ' LEU . 16.1 m -67.2 -17.25 64.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.596 -0.729 . . . . 74.51 110.94 -175.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.26 105.16 17.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.02 -0.536 . . . . 70.31 110.425 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.76 157.77 48.7 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.698 -0.683 . . . . 71.2 110.345 -178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 34.9 Cg_exo -58.77 152.52 56.25 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.571 2.181 . . . . 73.14 112.667 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 15.7 Cg_exo -69.73 -11.48 30.98 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.072 2.515 . . . . 73.31 112.654 -177.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.75 -32.99 57.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.129 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.416 ' HB3' ' HE2' ' A' ' 112' ' ' MET . 71.0 mtp -82.88 -21.65 34.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.702 0.287 . . . . 74.54 111.531 -175.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.554 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -107.22 -24.8 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.478 -0.328 . . . . 73.14 110.699 -176.165 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.554 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 32.4 mm-40 58.08 -163.68 0.2 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.865 -0.607 . . . . 74.14 111.907 176.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -83.12 147.01 52.81 Favored Pre-proline 0 N--CA 1.439 -1.015 0 CA-C-N 116.033 -0.531 . . . . 74.3 109.814 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.16 141.07 97.59 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.369 2.046 . . . . 73.23 111.41 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.0 t -66.45 139.72 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.27 -0.423 . . . . 62.33 110.121 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.35 92.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.155 0.91 . . . . 72.21 111.158 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.23 -48.18 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.844 -0.616 . . . . 43.23 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.4 m -88.85 89.85 8.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.702 -0.681 . . . . 74.23 110.334 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.099 -0.953 . . . . 74.43 111.144 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.767 0.318 . . . . 53.01 110.427 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.16 -160.16 21.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.15 -0.548 . . . . 73.11 112.826 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -137.19 -73.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.935 0.398 . . . . 73.24 110.625 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.438 ' O ' ' HD2' ' A' ' 6' ' ' HIS . 61.8 t60 -138.01 -17.21 1.23 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.972 0.415 . . . . 75.23 110.967 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -80.49 101.96 9.41 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.831 -0.433 . . . . 52.12 109.831 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 4' ' ' HIS . 11.9 p80 -122.21 155.66 35.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 75.23 111.135 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -119.56 -179.31 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 64.41 110.408 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -93.67 155.76 17.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.359 -0.608 . . . . 73.11 109.359 173.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -153.5 116.51 4.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.992 0.425 . . . . 72.35 111.201 -176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -113.18 137.01 52.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.722 -0.672 . . . . 74.41 109.759 173.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.2 mtt -139.04 71.84 1.39 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.385 0.612 . . . . 74.22 109.999 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.53 71.13 0.76 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.707 -0.678 . . . . 62.42 110.217 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.62 108.93 20.89 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.897 -0.592 . . . . 75.0 110.522 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -121.25 107.29 37.34 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.713 -0.676 . . . . 52.42 110.315 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.64 93.5 0.96 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 122.874 2.382 . . . . 65.24 110.624 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 4.0 t -96.85 130.98 28.79 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.337 -0.847 . . . . 75.45 110.661 -175.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 16.4 Cg_exo -67.13 169.84 14.36 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.776 2.317 . . . . 54.32 111.784 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 67.63 -160.2 0.22 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 71.01 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.8 43.84 5.93 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 109.923 -1.271 . . . . 74.12 109.923 -172.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.15 147.34 9.56 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.031 -0.828 . . . . 53.41 111.031 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 m -96.43 85.97 4.05 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.666 -0.494 . . . . 75.15 109.666 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.4 tp -112.48 151.18 30.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.899 -0.592 . . . . 63.34 111.102 -173.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.15 86.43 0.04 OUTLIER 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.976 0.91 . . . . 73.14 112.394 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -115.36 -47.49 2.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.368 -0.833 . . . . 71.04 109.72 177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.563 ' O ' ' HG2' ' A' ' 112' ' ' MET . 92.3 m95 -83.87 -25.66 30.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 74.53 109.981 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 147.45 46.2 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.676 -0.693 . . . . 40.33 111.006 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.3 mt -105.7 93.9 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.129 0.49 . . . . 71.11 110.41 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -80.98 -178.74 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.636 -0.711 . . . . 61.05 109.421 175.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.456 ' H ' HG22 ' A' ' 28' ' ' THR . 43.7 t -59.13 -44.01 90.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.327 . . . . 75.2 110.498 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.52 -41.9 98.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.516 . . . . 65.12 110.935 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -68.83 -32.85 72.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.015 0.436 . . . . 72.1 110.483 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -65.64 -50.36 65.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.205 -0.452 . . . . 65.21 109.928 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.5 -24.36 66.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.648 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -56.63 -27.08 57.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.612 -0.722 . . . . 75.34 111.646 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -61.23 -34.22 74.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.857 0.36 . . . . 73.13 111.052 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.23 -50.09 75.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.696 -0.684 . . . . 73.44 111.604 -175.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -60.06 -39.24 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.015 -0.538 . . . . 53.31 111.325 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -76.35 -40.9 50.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.814 0.34 . . . . 72.44 110.651 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' A' ' 49' ' ' ILE . 28.7 t80 -64.81 -38.91 92.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 72.13 110.413 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -59.55 -40.2 86.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 74.41 110.839 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.5 m -76.44 -18.15 58.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.551 0.574 . . . . 62.03 112.551 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -73.25 -12.46 60.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.33 110.772 -176.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 62.84 65.98 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.686 -0.688 . . . . 54.53 111.442 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.95 129.57 16.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.135 1.89 . . . . 74.35 111.121 175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 HD12 ' H ' ' A' ' 45' ' ' ILE . 4.3 mp -72.72 -72.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.795 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 48' ' ' PHE . 14.8 m -102.62 32.9 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.901 0.381 . . . . 72.01 110.845 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.34 7.56 61.95 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.884 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 46' ' ' SER . 37.5 p90 -149.46 169.45 20.86 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.911 -0.403 . . . . 73.03 109.911 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -123.96 -179.39 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.107 -0.497 . . . . 72.25 110.087 178.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 t -138.82 173.47 11.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.446 -0.343 . . . . 71.13 110.574 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.19 -35.22 64.2 Favored Glycine 0 C--N 1.336 0.546 0 O-C-N 123.272 0.358 . . . . 74.04 112.846 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.26 -48.66 80.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 73.14 110.788 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.26 -38.94 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 73.2 110.509 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.85 -53.66 37.92 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.742 -0.663 . . . . 71.42 110.593 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 55' ' ' ARG . 67.6 mtt-85 -58.7 -43.28 90.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 64.35 111.354 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -59.77 -43.16 94.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.303 -0.408 . . . . 72.43 110.479 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -67.34 -48.74 66.63 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.946 -0.57 . . . . 73.24 110.173 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 1.017 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.3 m-30 -53.04 -53.69 46.53 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.963 -0.562 . . . . 74.04 110.96 177.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -64.12 -39.95 95.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.651 -0.704 . . . . 54.03 111.146 -175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -20.18 65.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 111.014 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.82 ' HB3' HD11 ' A' ' 99' ' ' LEU . 49.5 m -76.1 -12.73 60.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.302 -0.408 . . . . 53.01 111.03 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.62 36.14 5.18 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.684 -0.77 . . . . 64.31 112.964 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -126.5 143.77 47.29 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.808 -0.441 . . . . 74.05 109.808 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 Cg_exo -77.45 158.09 32.7 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.274 2.65 . . . . 62.2 112.333 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.51 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 53.0 mt-30 -53.26 -47.52 95.71 Favored Pre-proline 0 N--CA 1.469 0.516 0 N-CA-C 113.807 1.04 . . . . 65.42 113.807 -176.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 65' ' ' GLN . 14.9 Cg_endo -58.14 -19.15 40.09 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.089 1.859 . . . . 64.21 112.481 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.22 -31.17 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.988 -0.551 . . . . 64.22 109.987 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.017 HD22 ' HB3' ' A' ' 58' ' ' PHE . 44.9 mt -68.61 -49.42 59.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.604 -0.725 . . . . 74.3 110.309 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.74 67.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.163 -0.926 . . . . 73.01 110.602 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -44.15 92.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.469 -0.567 . . . . 73.23 109.469 176.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.754 ' HA ' HD23 ' A' ' 94' ' ' LEU . 95.1 mt -66.04 -48.47 81.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.504 . . . . 51.42 109.688 175.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.644 ' CZ2' ' HA2' ' A' ' 81' ' ' GLY . 14.7 t90 -60.4 -45.69 92.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.923 -1.035 . . . . 62.22 111.73 -174.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -34.05 75.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 63.15 110.84 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 104' ' ' LEU . 15.6 mt -81.26 -30.9 33.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 75.32 112.018 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 91' ' ' ALA . . . -64.2 -71.47 0.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.793 -170.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.648 ' HA ' ' CG ' ' A' ' 87' ' ' GLU . 9.0 p-10 -85.15 95.75 9.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 CA-C-O 121.853 0.835 . . . . 72.4 108.774 175.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 57.9 mtm -51.62 -32.0 27.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.081 -1.418 . . . . 73.35 112.834 -175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.36 -13.27 61.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 71.44 110.823 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.66 67.98 0.9 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.486 -0.779 . . . . 73.31 109.555 -174.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -101.25 -29.01 12.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.105 -0.952 . . . . 54.04 109.746 -176.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.644 ' HA2' ' CZ2' ' A' ' 72' ' ' TRP . . . 84.86 19.87 58.84 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.561 -0.745 . . . . 63.42 112.511 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -122.56 -31.84 3.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.898 -0.178 . . . . 74.13 110.605 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.5 ptp 44.87 106.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.605 1.191 . . . . 72.43 113.361 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.1 171.6 14.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.468 -0.787 . . . . 74.13 109.369 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -58.92 -28.02 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.255 0.222 . . . . 74.1 110.665 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.47 -56.27 18.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 54.02 109.83 174.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.648 ' CG ' ' HA ' ' A' ' 76' ' ' ASP . 18.6 mp0 -62.65 -37.45 86.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 73.04 111.249 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.15 -28.97 68.56 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.173 -0.329 . . . . 75.44 110.702 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.403 ' O ' ' HE3' ' A' ' 92' ' ' MET . 33.6 t -65.24 -23.11 66.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 73.52 110.925 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 108' ' ' LEU . 14.0 tt -105.4 -25.8 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.039 0.447 . . . . 54.14 110.562 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -69.2 -36.32 77.16 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.308 0.484 . . . . 53.31 112.308 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.403 ' HE3' ' O ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -66.77 -24.84 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.61 -0.268 . . . . 74.32 111.362 -176.118 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -69.99 -36.63 75.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.659 0.266 . . . . 73.24 110.343 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 71' ' ' ILE . 1.1 tp -64.32 -39.42 93.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 72.53 110.527 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.441 HD11 ' HE1' ' A' ' 58' ' ' PHE . 37.9 mt -62.26 -46.61 96.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.889 -0.596 . . . . 64.04 109.741 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -58.27 -46.76 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.991 -1.004 . . . . 72.14 110.379 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.78 -38.51 83.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.835 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.536 ' HD2' HD11 ' A' ' 71' ' ' ILE . 40.3 mttm -66.85 -41.77 86.8 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.708 0.262 . . . . 74.24 111.708 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 61' ' ' SER . 64.4 mt -70.87 -20.49 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.069 0.461 . . . . 74.01 110.47 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -75.33 -26.75 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 64.12 110.08 172.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 112.75 19.58 6.86 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.898 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -97.51 168.57 10.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.459 0.647 . . . . 72.51 111.542 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -147.08 149.02 32.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.175 -0.92 . . . . 74.42 109.791 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.83 HD21 ' HD3' ' A' ' 109' ' ' PRO . 19.3 tp -143.01 146.11 35.84 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 108.594 -0.891 . . . . 71.15 108.594 -178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.539 ' O ' HD11 ' A' ' 74' ' ' LEU . 93.2 Cg_endo -85.08 -168.05 0.48 Allowed 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.017 1.811 . . . . 74.31 112.248 176.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.5 p -73.89 -4.65 36.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.327 0.584 . . . . 61.32 111.076 -177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.66 99.82 12.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.431 -0.804 . . . . 52.44 110.381 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HD2' ' A' ' 109' ' ' PRO . 3.5 tt -71.08 139.16 84.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.862 -1.162 . . . . 64.13 107.862 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.83 ' HD3' HD21 ' A' ' 104' ' ' LEU . 17.2 Cg_exo -69.91 150.22 66.98 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 121.596 1.53 . . . . 65.15 112.443 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.43 -7.14 16.8 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.676 2.251 . . . . 75.45 111.714 178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.57 -22.56 8.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.484 -0.78 . . . . 61.43 110.041 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.563 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 65.6 mtp -92.56 -46.67 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.869 -0.605 . . . . 64.11 110.468 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HD2' ' O ' ' A' ' 114' ' ' GLN . 0.0 OUTLIER -79.16 -18.93 52.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 73.41 110.316 177.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' ' 113' ' ' LYS . 47.4 mt-30 60.8 -162.91 0.26 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.472 -0.785 . . . . 74.54 112.014 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -85.11 132.61 44.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.706 -0.679 . . . . 71.05 109.536 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.48 119.72 4.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.592 2.195 . . . . 74.24 111.987 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.52 125.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.261 -0.881 . . . . 64.34 111.599 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -157.39 123.23 4.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.626 -0.715 . . . . 75.12 110.344 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.46 83.99 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.17 -0.678 . . . . 74.05 109.17 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.9 m -152.55 156.2 38.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.471 -0.786 . . . . 62.31 110.345 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.728 -0.653 . . . . 63.1 109.327 177.898 . . . . . . . . 0 0 . 1 stop_ save_