data_2l2k_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 2l2k _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 ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.455 -0.754 0 N-CA-C 111.588 -0.197 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.62 -50.69 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.07 0.548 . . . . 0.0 110.233 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.95 -36.4 83.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.305 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mt -57.57 -54.63 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.72 -51.03 70.39 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.184 0.994 . . . . 0.0 109.696 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -65.4 -9.67 27.15 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.504 0.722 . . . . 0.0 112.747 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -107.05 -33.28 7.52 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.286 0.494 . . . . 0.0 110.841 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.3 -50.84 19.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -153.46 84.84 4.23 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.573 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.46 177.81 6.32 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.139 2.559 . . . . 0.0 109.573 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.34 35.1 1.66 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 -178.36 4.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.88 0.872 . . . . 0.0 110.586 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -137.31 157.23 47.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 35.8 m-85 -130.36 154.09 48.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -138.93 110.92 7.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.225 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -71.79 146.26 48.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.47 158.31 37.72 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.655 0.782 . . . . 0.0 109.913 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -53.57 173.74 0.05 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.413 1.885 . . . . 0.0 115.366 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.31 170.48 8.67 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.16 0.984 . . . . 0.0 112.215 -175.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -151.02 172.25 16.02 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.092 0.957 . . . . 0.0 110.296 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.44 174.46 46.09 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 123.861 0.743 . . . . 0.0 113.026 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -81.99 173.66 11.99 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 -14.37 60.63 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -106.24 -0.3 24.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.991 0.516 . . . . 0.0 111.782 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.05 18.87 2.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.285 1.034 . . . . 0.0 109.616 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -56.57 152.45 11.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.443 1.097 . . . . 0.0 112.225 -171.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.2 p -144.84 158.37 43.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.585 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -144.01 170.56 15.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.793 1.237 . . . . 0.0 108.358 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.2 OUTLIER -144.12 157.5 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.476 172.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpt -143.93 133.55 23.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -120.97 173.17 7.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.92 165.63 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.503 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.0 110.49 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.91 128.41 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 57.45 9.53 0.78 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.857 0.863 . . . . 0.0 112.75 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.53 -12.6 47.13 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.155 0.884 . . . . 0.0 111.667 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.2 174.17 11.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -134.19 145.86 49.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.21 164.38 30.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.774 0.43 . . . . 0.0 110.739 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -145.78 162.39 37.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.867 0.467 . . . . 0.0 109.833 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.18 111.27 0.36 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 76.3 p -86.15 171.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.315 0.557 . . . . 0.0 110.384 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.16 171.28 43.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -71.87 -17.69 62.1 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -147.69 171.05 16.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 109.685 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.27 -36.52 83.95 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.46 -41.03 80.77 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 118.077 0.399 . . . . 0.0 110.474 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -40.35 94.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.846 0.859 . . . . 0.0 109.704 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.26 48.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.37 0.268 . . . . 0.0 110.691 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -62.57 -33.39 74.86 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.94 89.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.485 0.584 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -69.48 -49.17 57.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.529 0.332 . . . . 0.0 110.703 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.73 84.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.021 0.529 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.17 73.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 122.112 0.165 . . . . 0.0 110.587 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -62.57 -39.21 92.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -67.0 -45.28 78.04 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.36 90.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.475 0.31 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.04 -66.58 0.52 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.693 0.797 . . . . 0.0 109.433 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.14 60.38 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -71.72 -59.62 2.66 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.959 -0.463 . . . . 0.0 111.891 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.06 -30.31 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 117.833 0.288 . . . . 0.0 111.62 -174.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -88.64 -5.53 58.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.071 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.01 23.22 9.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.547 0.739 . . . . 0.0 112.218 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.34 -164.28 1.31 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.601 1.16 . . . . 0.0 109.963 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -137.95 162.09 34.97 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.342 -1.313 . . . . 0.0 110.467 179.399 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.411 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 72.9 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.386 -0.275 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -52.09 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 122.893 0.477 . . . . 0.0 110.651 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.97 -44.89 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.15 -38.27 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.293 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.61 -56.65 17.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.64 -0.7 2.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.893 0.877 . . . . 0.0 112.968 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -117.76 -9.68 10.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.31 0.505 . . . . 0.0 111.599 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -102.89 -42.73 5.74 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.979 0.354 . . . . 0.0 110.239 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.7 79.21 8.76 Favored Pre-proline 0 N--CA 1.455 -0.194 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.07 -177.7 3.67 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.92 3.08 . . . . 0.0 109.702 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.55 28.57 5.96 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.066 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.7 -171.79 2.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.58 0.752 . . . . 0.0 110.111 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.478 ' HB3' ' HE2' ' B' ' 60' ' ' LYS . 11.1 ptpt -150.43 151.53 32.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.462 ' CG ' HG11 ' B' ' 79' ' ' VAL . 30.3 m-85 -121.24 157.76 29.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.348 0.594 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.06 156.84 43.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.594 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.406 ' C ' HD21 ' B' ' 64' ' ' LEU . 19.1 t80 -116.83 127.11 53.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 175.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.406 HD21 ' C ' ' B' ' 63' ' ' PHE . 3.5 mm? -115.13 161.66 18.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.447 -173.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -51.12 166.28 0.1 Allowed 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -165.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.53 170.0 8.9 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.976 0.911 . . . . 0.0 112.144 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -152.96 172.59 16.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.901 0.88 . . . . 0.0 110.431 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.62 174.34 49.2 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.976 0.798 . . . . 0.0 113.015 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.83 171.73 12.01 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.507 0.723 . . . . 0.0 109.893 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.5 m -62.21 -31.06 71.55 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -83.84 -4.64 58.83 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.78 19.57 1.82 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.502 0.721 . . . . 0.0 110.462 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -55.1 151.51 9.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.108 0.963 . . . . 0.0 111.756 -172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -142.21 159.2 42.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.242 0.617 . . . . 0.0 109.821 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.64 174.6 10.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.755 1.222 . . . . 0.0 108.508 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.17 154.73 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 118.803 -1.159 . . . . 0.0 110.747 172.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mmm -121.84 155.5 35.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 87' ' ' GLU . 59.1 m -136.88 170.36 16.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 172.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.462 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.2 t -148.34 163.42 5.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 121.965 -0.459 . . . . 0.0 110.025 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -134.72 112.13 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.31 129.29 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.645 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 22.2 t70 57.71 7.36 0.55 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.768 0.827 . . . . 0.0 112.453 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.18 -11.4 44.13 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.625 1.107 . . . . 0.0 111.918 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -78.41 171.15 15.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -131.78 142.53 49.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.94 164.99 28.52 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.785 0.434 . . . . 0.0 110.804 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' B' ' 78' ' ' SER . 35.4 tt0 -148.8 159.92 43.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.434 1.094 . . . . 0.0 108.089 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.83 109.53 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -83.3 167.04 17.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.026 0.413 . . . . 0.0 111.488 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.94 171.97 44.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.92 -18.29 62.03 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 117.379 0.589 . . . . 0.0 111.436 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -147.54 169.0 20.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.693 0.797 . . . . 0.0 109.373 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -67.11 -25.52 66.25 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -72.38 -49.19 35.82 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.125 0.57 . . . . 0.0 109.642 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.0 -39.25 87.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.883 1.273 . . . . 0.0 109.952 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.22 78.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -63.47 -34.88 78.75 Favored 'General case' 0 C--N 1.34 0.193 0 O-C-N 121.95 -0.469 . . . . 0.0 110.704 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.8 70.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.239 0.472 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.99 -47.79 17.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.343 0.257 . . . . 0.0 110.951 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.92 84.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.529 0.332 . . . . 0.0 110.517 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.46 -37.41 68.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.859 0.464 . . . . 0.0 110.756 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -63.66 -38.92 92.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -66.39 -45.78 78.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.52 83.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.331 0.252 . . . . 0.0 111.11 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -66.03 -66.89 0.49 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.261 0.624 . . . . 0.0 109.575 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.24 -43.42 52.96 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -70.96 -58.86 3.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.021 -0.424 . . . . 0.0 111.801 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.42 -28.7 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.712 0.233 . . . . 0.0 111.385 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.4 m-30 -92.22 -4.77 53.64 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.949 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.68 24.49 12.22 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.471 0.708 . . . . 0.0 111.98 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.44 -168.31 1.82 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.108 0.963 . . . . 0.0 110.759 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . 0.519 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -131.95 -178.78 5.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 0.0 110.094 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.519 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.402 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo . . . . . 0 N--CA 1.456 -0.732 0 CA-C-O 119.947 -0.105 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.27 -50.74 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.432 0.293 . . . . 0.0 110.417 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.85 -32.24 70.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.342 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 47.3 mt -58.3 -53.49 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.87 -49.66 72.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.22 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -70.7 -2.04 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -110.61 -26.47 9.43 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 119.141 0.882 . . . . 0.0 110.279 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' B' ' 109' ' ' PHE . 1.3 tt -82.35 -58.02 3.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -145.42 81.48 10.24 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 123.195 0.598 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.39 179.34 5.16 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.238 2.625 . . . . 0.0 110.021 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 54.63 0.8 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.93 -174.87 3.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 110.369 -176.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.2 mtmt -143.74 109.07 5.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.835 0.454 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.458 ' CG ' HG11 ' B' ' 79' ' ' VAL . 50.7 m-85 -86.01 152.95 22.5 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.202 0.525 . . . . 0.0 111.165 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -141.13 113.99 8.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.335 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -68.85 148.42 50.28 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.06 0.544 . . . . 0.0 110.254 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.32 160.33 34.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.892 0.877 . . . . 0.0 110.045 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.7 m -53.09 175.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.979 2.111 . . . . 0.0 115.573 -168.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -113.64 172.39 7.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.226 1.01 . . . . 0.0 112.497 -174.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.7 m -154.33 174.38 14.91 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.617 1.167 . . . . 0.0 110.063 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.41 176.06 44.11 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.751 0.691 . . . . 0.0 113.267 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.44 171.04 12.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.451 0.7 . . . . 0.0 109.965 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.1 m -63.31 -28.9 70.32 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -84.83 -7.61 59.12 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.28 22.24 2.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.824 0.849 . . . . 0.0 110.078 -177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -55.11 153.79 6.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 111.632 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.9 p -141.39 159.65 41.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.203 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 30.6 m-85 -145.19 173.19 12.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.923 1.289 . . . . 0.0 107.714 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.3 OUTLIER -147.01 159.08 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.202 176.103 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.3 mmm -127.46 155.91 42.96 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 91.6 p -132.98 169.23 17.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.2 160.38 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.939 179.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.7 t -132.48 109.76 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.57 137.53 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.06 10.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.07 0.548 . . . . 0.0 112.433 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.86 -11.23 68.1 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.802 0.715 . . . . 0.0 111.406 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.51 169.27 18.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -132.09 144.45 50.74 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.0 167.26 22.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.824 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -147.04 161.98 39.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.909 0.883 . . . . 0.0 109.351 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.63 113.46 0.42 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 77.4 p -86.7 170.59 11.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.198 0.499 . . . . 0.0 110.98 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.43 172.55 44.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -70.58 -22.91 62.52 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.206 0.503 . . . . 0.0 111.522 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -143.33 168.21 20.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.99 0.916 . . . . 0.0 108.787 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -63.9 -30.13 71.25 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -77.23 -40.15 45.94 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.175 0.443 . . . . 0.0 110.624 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.96 -39.24 87.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.599 0.76 . . . . 0.0 109.052 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.56 92.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.834 0.454 . . . . 0.0 110.83 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -64.11 -35.02 79.38 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 122.091 -0.381 . . . . 0.0 110.624 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.37 72.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.311 0.505 . . . . 0.0 110.448 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -74.01 -53.2 10.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.389 0.276 . . . . 0.0 110.658 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.99 85.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.981 0.512 . . . . 0.0 111.117 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.52 70.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.645 0.378 . . . . 0.0 110.794 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.95 -38.5 88.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.041 -0.412 . . . . 0.0 110.058 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -66.01 -43.68 86.99 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 118.094 0.406 . . . . 0.0 110.092 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.28 92.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.768 0.427 . . . . 0.0 110.414 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.71 -65.19 0.73 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.941 0.896 . . . . 0.0 109.9 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.15 21.46 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 88.8 m -93.76 -58.38 2.28 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.731 0.696 . . . . 0.0 111.064 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.49 -27.51 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 122.804 0.442 . . . . 0.0 111.152 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.413 ' CD2' HD13 ' B' ' 55' ' ' LEU . 3.7 m-30 -94.89 -5.68 44.38 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.214 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 58.81 21.95 9.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.554 0.742 . . . . 0.0 112.433 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.59 -167.7 1.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.899 0.88 . . . . 0.0 110.803 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . 0.541 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 32.1 t-80 -130.37 -178.03 4.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.382 0.673 . . . . 0.0 110.135 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.541 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.085 -1.436 . . . . 0.0 110.404 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.659 -0.554 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.76 -49.17 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.148 0.579 . . . . 0.0 109.918 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -71.11 -33.69 70.39 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 119.24 -0.41 . . . . 0.0 111.773 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -54.09 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.16 -50.17 74.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.689 0.796 . . . . 0.0 109.688 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -65.22 -10.28 30.46 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.459 0.704 . . . . 0.0 112.637 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -106.77 -30.18 9.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.508 0.595 . . . . 0.0 111.045 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.1 tt -79.71 -48.32 13.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.424 -0.173 . . . . 0.0 110.823 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -152.41 80.33 5.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -71.94 -179.69 4.08 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.508 2.806 . . . . 0.0 110.336 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.91 56.08 1.26 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.22 -171.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.826 1.251 . . . . 0.0 109.572 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -143.99 104.24 4.12 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.591 0.356 . . . . 0.0 111.538 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.44 ' CG ' HG13 ' B' ' 79' ' ' VAL . 54.4 m-85 -82.19 150.9 27.15 Favored 'General case' 0 N--CA 1.458 -0.056 0 CA-C-O 121.247 0.546 . . . . 0.0 110.916 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -141.28 112.78 7.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.265 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -68.49 148.4 50.64 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 122.961 0.505 . . . . 0.0 110.141 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.54 159.99 35.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.028 0.931 . . . . 0.0 109.973 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -52.88 174.74 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.968 2.107 . . . . 0.0 115.739 -168.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -119.16 173.5 6.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.328 1.051 . . . . 0.0 112.554 -175.039 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.2 t -160.79 176.33 11.61 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.882 0.873 . . . . 0.0 109.94 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.0 174.75 50.46 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.031 0.824 . . . . 0.0 113.544 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.93 173.86 12.11 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.33 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.0 m -68.84 -9.37 50.99 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -114.0 -3.15 13.37 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.323 0.649 . . . . 0.0 111.578 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.56 17.84 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.37 1.068 . . . . 0.0 109.461 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -55.36 152.05 9.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.405 1.082 . . . . 0.0 111.436 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p -141.38 157.92 44.55 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 40.5 m-85 -144.11 172.43 12.9 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.202 1.401 . . . . 0.0 107.358 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -147.95 156.98 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 118.198 -1.401 . . . . 0.0 111.26 175.278 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mmm -124.89 155.15 39.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 174.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 93.7 p -132.81 169.05 17.3 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.84 159.51 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.26 109.46 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.6 137.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.25 11.15 0.73 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.462 0.705 . . . . 0.0 112.567 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.28 -10.93 65.5 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 123.901 0.762 . . . . 0.0 111.637 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.0 169.45 17.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.59 143.86 50.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.673 0.389 . . . . 0.0 110.088 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.35 166.75 23.71 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.57 0.348 . . . . 0.0 111.751 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -147.04 162.56 38.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.765 0.826 . . . . 0.0 109.334 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 108.16 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 80.7 p -85.67 166.81 15.87 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 117.291 0.545 . . . . 0.0 110.892 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.77 173.07 43.93 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -72.23 -15.52 61.93 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 117.185 0.492 . . . . 0.0 112.061 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -152.47 166.94 30.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.271 1.028 . . . . 0.0 109.451 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.23 -38.69 87.56 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.6 -43.07 81.38 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 122.533 0.333 . . . . 0.0 110.744 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.76 -40.08 79.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.458 0.703 . . . . 0.0 109.977 -178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.06 93.69 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 111.132 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.15 -35.7 81.92 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.021 -0.425 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.55 71.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.256 0.48 . . . . 0.0 110.46 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -74.91 -51.44 13.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.412 0.285 . . . . 0.0 110.986 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.72 88.59 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.692 0.397 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -36.0 70.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.634 0.373 . . . . 0.0 110.781 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -66.58 -35.71 80.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -68.71 -44.88 72.98 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.68 86.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.901 0.48 . . . . 0.0 110.271 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.53 -65.01 0.76 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.859 . . . . 0.0 109.834 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.87 -12.24 4.22 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -101.08 -58.42 1.89 Allowed 'General case' 0 N--CA 1.458 -0.04 0 CA-C-N 118.797 0.726 . . . . 0.0 111.195 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.22 -27.88 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.498 0.319 . . . . 0.0 111.364 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -92.75 -5.21 51.7 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.379 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 58.67 20.4 7.72 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.544 0.738 . . . . 0.0 112.23 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.66 -164.22 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.489 1.116 . . . . 0.0 110.179 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -138.47 162.16 35.2 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.477 179.286 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.43 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 60.5 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.746 -0.521 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.04 -47.93 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.236 0.614 . . . . 0.0 110.052 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 9.0 mmt -69.98 -54.15 14.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.582 0.353 . . . . 0.0 111.638 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.43 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 13.8 pt -56.64 -29.67 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.466 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -69.37 -54.55 13.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -68.17 8.0 0.49 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.097 1.359 . . . . 0.0 112.719 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.13 -35.56 3.44 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 9.8 mt -63.66 -57.87 8.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.018 0.927 . . . . 0.0 109.558 174.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -157.55 95.06 2.08 Favored Pre-proline 0 N--CA 1.452 -0.351 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -72.34 176.87 8.03 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.185 2.59 . . . . 0.0 110.201 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.46 61.89 0.69 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -177.16 4.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.125 0.97 . . . . 0.0 110.42 -178.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 39.8 mtmt -140.92 104.65 4.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.458 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.4 m-85 -83.15 152.99 25.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.252 0.549 . . . . 0.0 110.646 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.07 112.13 7.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.956 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -68.64 147.72 51.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.858 0.463 . . . . 0.0 110.152 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.57 159.83 35.14 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.82 0.848 . . . . 0.0 109.706 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.7 p -53.82 175.38 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.504 1.922 . . . . 0.0 115.49 -168.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 173.04 7.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.898 0.879 . . . . 0.0 112.277 -174.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.0 p -160.76 175.57 12.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 110.607 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.96 173.0 48.69 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 123.874 0.75 . . . . 0.0 112.923 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -78.47 175.29 10.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.477 0.711 . . . . 0.0 110.257 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m -64.83 -33.14 75.3 Favored 'General case' 0 CA--C 1.527 0.07 0 O-C-N 121.925 -0.484 . . . . 0.0 112.245 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -84.79 -4.48 59.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.308 0.643 . . . . 0.0 112.453 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 19.99 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.265 0.626 . . . . 0.0 110.664 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -55.36 147.37 17.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.679 0.792 . . . . 0.0 111.186 -174.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m -140.6 158.58 43.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.162 0.585 . . . . 0.0 109.962 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -142.9 174.78 10.36 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.036 1.335 . . . . 0.0 107.965 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.34 158.64 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 118.464 -1.294 . . . . 0.0 111.512 174.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.7 mmm -127.48 157.04 41.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.0 p -134.0 168.98 17.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 168.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.05 161.95 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.07 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.34 109.42 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 171.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.19 127.62 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.19 8.44 0.56 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.052 0.941 . . . . 0.0 112.916 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 -12.49 37.98 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.167 0.889 . . . . 0.0 111.84 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.73 173.29 12.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -133.39 145.36 50.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -141.25 166.59 24.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.524 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -145.92 161.74 39.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.677 0.791 . . . . 0.0 109.37 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.88 107.23 0.23 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.2 p -83.64 166.94 17.73 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.413 0.607 . . . . 0.0 110.716 175.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.55 172.11 42.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.29 -22.71 63.78 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 117.178 0.489 . . . . 0.0 111.637 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -145.79 172.35 13.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.67 -41.03 94.26 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -71.85 -41.25 68.32 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 122.983 0.513 . . . . 0.0 111.374 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.71 -40.11 88.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.971 0.508 . . . . 0.0 109.741 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.35 93.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.627 0.371 . . . . 0.0 110.784 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.42 -36.94 85.8 Favored 'General case' 0 C--O 1.226 -0.171 0 O-C-N 122.159 -0.338 . . . . 0.0 110.46 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.99 0.359 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.64 -51.75 10.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.188 0.195 . . . . 0.0 110.595 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.16 86.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.543 0.337 . . . . 0.0 110.815 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.8 65.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.865 0.466 . . . . 0.0 110.742 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -69.41 -41.0 76.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.0 m -65.72 -42.81 90.62 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.79 78.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.588 0.355 . . . . 0.0 110.332 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.82 -49.76 67.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.438 -0.164 . . . . 0.0 110.588 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -18.22 40.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.0 m -103.47 -52.51 2.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.17 0.441 . . . . 0.0 111.807 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.6 -16.56 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 81.0 m-85 -118.88 -3.22 10.75 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.92 19.1 5.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.296 0.638 . . . . 0.0 112.067 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.1 mt -121.62 97.63 5.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.286 1.034 . . . . 0.0 109.452 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.21 151.67 26.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.823 -178.42 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.416 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.4 Cg_endo . . . . . 0 N--CA 1.449 -1.107 0 CA-C-O 119.738 -0.193 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.8 -47.68 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.1 tpp -72.53 -46.29 55.27 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.904 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 5.7 pt -61.3 -37.58 77.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.125 0 CA-C-N 118.891 0.769 . . . . 0.0 111.088 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.69 -50.26 74.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.48 -9.13 31.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.45 1.1 . . . . 0.0 113.163 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.95 -17.37 14.21 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.508 0.594 . . . . 0.0 111.331 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -97.75 -44.36 6.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -155.53 79.63 4.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.4 177.28 6.19 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.371 2.714 . . . . 0.0 110.542 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.13 59.49 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.88 -175.98 4.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.151 0.981 . . . . 0.0 110.365 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -138.24 149.28 45.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.427 ' CG ' HG13 ' B' ' 79' ' ' VAL . 36.5 m-85 -126.79 153.59 45.39 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -140.7 112.8 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.335 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.44 148.06 51.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.772 0.429 . . . . 0.0 110.028 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -130.37 160.34 34.28 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.72 0.808 . . . . 0.0 109.97 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -51.87 174.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 127.073 2.149 . . . . 0.0 115.656 -168.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 174.98 5.89 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.122 0.969 . . . . 0.0 112.462 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.58 173.88 16.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.99 0.916 . . . . 0.0 110.015 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.63 52.15 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 123.166 0.412 . . . . 0.0 112.4 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -100.61 174.95 5.84 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.938 0.895 . . . . 0.0 110.185 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -0.54 0.64 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -119.6 -0.07 10.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.779 0.718 . . . . 0.0 111.546 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.35 15.44 1.3 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.104 0.962 . . . . 0.0 110.11 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -55.22 146.84 17.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.538 1.135 . . . . 0.0 112.017 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -142.25 159.2 42.69 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.383 0.673 . . . . 0.0 109.917 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -143.61 174.0 11.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.156 1.383 . . . . 0.0 108.197 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -147.32 159.26 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.349 175.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.8 mmm -127.32 157.4 40.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.784 1.234 . . . . 0.0 108.133 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -134.18 170.3 15.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 168.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.427 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.5 t -147.69 164.89 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.14 108.9 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.2 125.64 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.782 -174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 7.4 t70 60.69 5.32 0.9 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.192 0.997 . . . . 0.0 112.821 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.73 -13.0 29.89 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.218 0.913 . . . . 0.0 111.675 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.81 173.63 12.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -133.36 145.85 50.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.79 166.99 23.22 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.599 0.36 . . . . 0.0 111.538 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.34 161.0 41.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.611 0.765 . . . . 0.0 109.731 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.09 116.65 0.58 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.3 p -93.39 167.89 11.43 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 117.173 0.486 . . . . 0.0 111.219 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.3 170.77 43.94 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.38 -16.39 62.96 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -147.75 169.53 19.54 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -66.82 -25.88 66.66 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -175.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.6 -49.25 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.633 0.652 . . . . 0.0 110.259 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.33 -39.03 93.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.985 0.914 . . . . 0.0 109.628 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.25 74.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.746 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -64.13 -34.63 78.5 Favored 'General case' 0 C--O 1.225 -0.213 0 O-C-N 122.037 -0.414 . . . . 0.0 110.508 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.63 74.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.299 0.499 . . . . 0.0 110.444 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -75.12 -47.42 28.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.531 0.332 . . . . 0.0 110.779 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.823 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.86 68.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.223 0.609 . . . . 0.0 110.693 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -66.36 -38.23 87.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -67.18 -43.99 80.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.375 0.27 . . . . 0.0 110.484 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.88 -60.39 3.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.528 0.731 . . . . 0.0 109.869 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.1 19.0 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 98.2 m -99.86 -53.33 3.19 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 118.536 0.607 . . . . 0.0 111.866 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.47 -31.99 55.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 118.114 0.416 . . . . 0.0 111.195 -176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -90.59 -9.83 45.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.097 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 57.65 19.4 5.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.359 0.663 . . . . 0.0 111.64 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.4 109.09 10.79 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 124.548 1.139 . . . . 0.0 109.619 -177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.81 159.72 15.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.647 -1.168 . . . . 0.0 111.157 179.723 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.455 -0.753 0 N-CA-C 111.231 -0.334 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.39 -54.56 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.714 0.806 . . . . 0.0 110.332 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.7 ttm -69.44 -30.32 68.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.017 0.376 . . . . 0.0 112.017 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.98 -52.73 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.74 -49.54 74.92 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.329 1.052 . . . . 0.0 109.657 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -68.67 -5.83 22.52 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -103.94 -37.29 7.45 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.04 0.836 . . . . 0.0 110.23 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.5 tt -73.31 -49.36 27.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.419 0.288 . . . . 0.0 110.891 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -153.65 78.21 5.65 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.7 174.24 10.62 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.113 2.542 . . . . 0.0 110.017 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.19 51.73 0.81 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.05 -177.85 4.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.998 0.919 . . . . 0.0 110.801 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -140.95 105.45 4.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.477 ' CG ' HG11 ' B' ' 79' ' ' VAL . 50.7 m-85 -84.41 154.95 22.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.265 0.555 . . . . 0.0 110.821 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.12 161.28 37.19 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.531 170.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -118.7 139.09 52.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.94 158.94 29.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.38 0.672 . . . . 0.0 109.957 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -54.35 172.05 0.1 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 126.021 1.728 . . . . 0.0 115.463 -167.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.87 175.88 5.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 112.425 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -149.53 169.07 21.78 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.245 1.018 . . . . 0.0 109.069 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.92 174.18 46.73 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.28 75.38 1.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.992 0.517 . . . . 0.0 110.762 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 44.5 m 63.72 -0.36 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.972 1.309 . . . . 0.0 113.208 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -138.09 151.06 47.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 47.92 20.19 0.22 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.85 0.46 . . . . 0.0 111.701 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -57.87 147.74 27.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 110.395 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 83.5 p -145.25 158.98 43.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -144.36 170.59 15.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.342 1.457 . . . . 0.0 107.525 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.13 157.54 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 118.378 -1.329 . . . . 0.0 111.537 175.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mmm -126.31 156.71 39.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.857 1.263 . . . . 0.0 107.867 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -130.86 170.41 14.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.4 161.92 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.217 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.49 110.23 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.18 127.01 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.681 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t70 57.1 8.94 0.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.882 0.873 . . . . 0.0 112.894 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.56 -12.67 39.26 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.12 0.867 . . . . 0.0 111.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.29 172.78 13.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -133.75 144.68 49.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.93 166.36 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.686 0.395 . . . . 0.0 111.545 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.42 162.62 37.84 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.572 0.749 . . . . 0.0 109.422 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.86 110.71 0.32 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 82.2 p -90.38 166.04 13.51 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.194 0.497 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.68 171.68 43.84 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -73.8 -13.19 60.9 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 117.337 0.568 . . . . 0.0 112.504 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -147.86 170.26 18.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.731 0.813 . . . . 0.0 109.359 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.9 -32.77 74.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -67.63 -51.61 47.98 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 123.568 0.747 . . . . 0.0 110.724 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.47 -39.5 94.62 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.428 1.091 . . . . 0.0 109.671 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.38 85.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.936 0.494 . . . . 0.0 111.109 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -65.39 -40.37 93.38 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 122.034 -0.416 . . . . 0.0 110.52 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.12 71.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.045 0.384 . . . . 0.0 110.591 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.6 -54.15 8.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.767 0.427 . . . . 0.0 110.758 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.22 77.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.592 0.357 . . . . 0.0 110.984 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.73 71.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.134 0.574 . . . . 0.0 110.529 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.55 -36.56 84.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -66.14 -45.92 79.32 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.087 0.403 . . . . 0.0 110.058 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.43 89.15 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.404 0.281 . . . . 0.0 110.531 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.18 -65.8 0.63 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 109.626 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.34 -11.41 4.18 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -100.92 -58.39 1.9 Allowed 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.744 0.702 . . . . 0.0 111.063 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.54 -29.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.663 0.211 . . . . 0.0 111.107 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -89.86 -5.37 56.9 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.448 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 58.27 20.21 6.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.408 0.683 . . . . 0.0 112.343 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.3 -164.94 1.22 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.51 1.124 . . . . 0.0 110.096 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -137.69 161.83 35.46 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.276 -1.345 . . . . 0.0 110.528 179.3 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.415 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 81.2 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 N-CA-C 110.633 -0.564 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.57 -49.97 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.466 0.706 . . . . 0.0 110.673 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 34.8 mtp -74.64 -41.44 60.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.922 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.415 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.5 -33.58 51.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.49 -57.51 9.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -64.0 -0.44 1.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.954 1.302 . . . . 0.0 113.796 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -120.99 -14.61 8.42 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.894 0.77 . . . . 0.0 111.876 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.425 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -93.44 -51.26 5.05 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -153.81 81.95 4.66 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.98 174.38 8.92 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.947 2.431 . . . . 0.0 109.499 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.04 49.32 0.3 Allowed Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 81' ' ' VAL . 0.4 OUTLIER -128.96 -177.8 4.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.648 0.779 . . . . 0.0 109.67 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 52.4 mtmt -147.04 99.89 3.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.333 0.653 . . . . 0.0 110.126 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.411 ' CE1' HD23 ' B' ' 59' ' ' LEU . 73.6 m-85 -77.69 154.25 32.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.674 0.75 . . . . 0.0 111.886 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -137.14 163.81 29.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.071 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -122.57 137.93 54.74 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.05 158.5 29.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.391 0.676 . . . . 0.0 110.121 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.5 m -54.53 170.62 0.15 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.746 1.618 . . . . 0.0 115.177 -166.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.22 174.19 6.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.971 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -157.6 173.49 16.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.507 0.723 . . . . 0.0 110.203 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.56 175.71 50.46 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.68 0.657 . . . . 0.0 112.727 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.44 174.79 9.78 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.523 0.729 . . . . 0.0 110.506 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m -65.07 -5.97 7.75 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -118.36 0.56 11.69 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.5 0.72 . . . . 0.0 111.646 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.68 16.84 2.17 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.301 1.04 . . . . 0.0 109.599 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -58.07 150.97 19.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.743 1.217 . . . . 0.0 112.179 -172.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -142.37 157.38 44.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.16 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -142.26 169.92 16.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.869 1.268 . . . . 0.0 107.736 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.24 157.09 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 118.341 -1.344 . . . . 0.0 111.067 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.42 154.73 43.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.833 1.253 . . . . 0.0 107.705 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.0 p -129.63 169.98 14.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.3 t -145.39 153.1 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.45 99.02 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.579 HG11 ' H ' ' B' ' 82' ' ' ASP . 3.2 t -77.16 -133.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.158 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . 0.579 ' H ' HG11 ' B' ' 81' ' ' VAL . 38.8 t70 -49.79 -5.37 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.328 2.251 . . . . 0.0 113.417 172.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' B' ' 81' ' ' VAL . . . 141.08 -14.55 2.81 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.291 0.948 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.94 165.41 23.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -125.67 143.86 50.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.724 0.409 . . . . 0.0 110.097 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -141.68 165.74 26.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.08 162.51 39.24 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.182 0.593 . . . . 0.0 109.866 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.72 116.29 0.58 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -98.78 160.55 14.19 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.264 0.532 . . . . 0.0 110.25 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.95 169.04 41.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ptm85 -70.3 -14.4 62.57 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.17 166.94 23.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.631 0.772 . . . . 0.0 108.932 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.12 -27.53 67.4 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -70.44 -50.83 34.2 Favored 'General case' 0 C--N 1.337 0.054 0 CA-C-N 118.176 0.444 . . . . 0.0 110.506 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.97 -39.83 95.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.482 1.113 . . . . 0.0 109.709 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.6 79.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.821 0.448 . . . . 0.0 110.844 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.36 -39.48 89.18 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 122.167 -0.333 . . . . 0.0 110.728 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.61 73.55 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.266 0.485 . . . . 0.0 110.796 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -71.38 -49.97 36.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.093 0.557 . . . . 0.0 110.928 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.4 72.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.708 0.403 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.71 -39.57 66.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.142 0.577 . . . . 0.0 110.791 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -62.35 -37.66 86.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 63.9 m -68.5 -44.37 74.83 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.92 88.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.961 0.504 . . . . 0.0 110.879 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.6 -69.99 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.578 0.751 . . . . 0.0 109.757 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.85 -48.43 21.0 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.7 m -67.77 -58.18 5.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.95 -29.07 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 118.089 0.404 . . . . 0.0 111.397 -175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.4 m-30 -87.65 -5.22 58.81 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.99 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.41 25.14 12.55 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.67 0.788 . . . . 0.0 111.978 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -127.19 -167.34 1.72 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.208 1.003 . . . . 0.0 110.581 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . 0.504 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -134.0 -179.53 5.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.347 0.659 . . . . 0.0 109.859 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.504 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 23.8 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.217 -1.373 . . . . 0.0 110.507 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 113.608 0.58 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -49.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 118.392 0.542 . . . . 0.0 111.108 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -38.82 87.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.94 0.336 . . . . 0.0 111.347 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 48.7 mt -55.45 -51.42 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.51 -41.33 96.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 122.995 0.518 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.45 -2.47 3.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.861 0.464 . . . . 0.0 111.176 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -120.96 -14.68 8.41 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.21 -0.306 . . . . 0.0 110.44 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.674 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.5 OUTLIER -89.22 -37.18 15.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -165.91 86.87 0.93 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 123.876 0.87 . . . . 0.0 109.829 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -73.99 0.79 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.871 3.047 . . . . 0.0 113.769 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 67.83 3.51 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 118.375 0.534 . . . . 0.0 112.309 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.7 -174.87 4.09 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.288 0.635 . . . . 0.0 111.432 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -145.04 111.32 5.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.845 0.858 . . . . 0.0 110.342 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.459 ' CG ' HG13 ' B' ' 79' ' ' VAL . 44.5 m-85 -85.52 154.25 21.89 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 121.301 0.572 . . . . 0.0 111.08 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.58 111.27 6.56 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.996 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.4 147.79 51.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.875 0.47 . . . . 0.0 110.025 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.34 157.85 40.75 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.554 0.742 . . . . 0.0 110.191 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -52.74 173.79 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.904 2.081 . . . . 0.0 115.619 -168.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 174.03 6.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.51 1.124 . . . . 0.0 112.161 -175.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.4 t -157.37 175.07 14.48 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.616 0.766 . . . . 0.0 110.065 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.95 176.46 43.7 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.872 0.748 . . . . 0.0 113.014 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.49 172.45 13.49 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.26 0.624 . . . . 0.0 110.229 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -66.58 -11.64 54.09 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -109.26 -1.26 18.72 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.162 0.585 . . . . 0.0 111.774 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.73 19.53 2.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.375 1.07 . . . . 0.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -56.77 155.31 7.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.844 1.258 . . . . 0.0 112.182 -171.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 79.8 p -142.62 159.51 42.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.204 0.602 . . . . 0.0 109.951 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -146.4 170.4 16.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.935 1.294 . . . . 0.0 108.079 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.56 157.13 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.026 175.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.8 mmm -125.34 155.3 40.49 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -133.87 169.34 17.22 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.459 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -145.89 158.4 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.648 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -130.94 111.3 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.08 137.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.21 11.29 0.75 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.26 0.624 . . . . 0.0 112.628 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.36 -11.37 68.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.723 0.678 . . . . 0.0 111.423 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.13 170.6 16.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -133.1 143.94 49.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -138.34 166.16 24.94 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.617 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -147.09 162.93 37.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 109.444 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.29 107.87 0.25 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.1 p -90.37 164.92 14.13 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.34 0.57 . . . . 0.0 110.922 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.67 171.32 42.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -75.81 -9.63 58.76 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 117.523 0.661 . . . . 0.0 111.933 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.6 160.32 43.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.625 1.17 . . . . 0.0 109.024 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.99 -30.86 71.09 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.75 -45.81 77.39 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.056 0.543 . . . . 0.0 110.379 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.25 -39.6 82.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.04 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.3 0.64 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -65.42 -38.62 90.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 122.123 -0.361 . . . . 0.0 110.771 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.74 73.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.24 0.473 . . . . 0.0 110.755 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.28 -51.95 18.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.241 0.616 . . . . 0.0 111.061 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.1 79.53 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.676 0.39 . . . . 0.0 111.031 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.97 70.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.99 0.516 . . . . 0.0 110.873 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -65.66 -36.47 83.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.95 -0.469 . . . . 0.0 110.009 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -65.97 -43.35 88.12 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.34 71.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' B' ' 109' ' ' PHE . 1.6 tm? -70.56 -62.6 1.33 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.25 -10.85 17.56 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -174.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.6 m -101.45 -62.93 1.19 Allowed 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.95 0.795 . . . . 0.0 111.955 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.19 -31.53 51.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.031 0 C-N-CA 122.551 0.34 . . . . 0.0 111.715 -173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.674 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 18.9 m-85 -90.58 -4.61 56.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.778 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.84 18.96 6.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.535 0.734 . . . . 0.0 111.928 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.03 -162.78 0.92 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.381 1.073 . . . . 0.0 110.307 -177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -134.26 161.37 35.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.408 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 CA-C-O 119.985 -0.09 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.81 -53.44 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 122.275 0.23 . . . . 0.0 110.549 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 tpp -73.85 -39.63 63.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.728 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 pt -61.18 -38.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.242 0.928 . . . . 0.0 110.677 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.87 -51.97 67.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.6 -4.06 7.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.146 0.978 . . . . 0.0 113.024 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -108.18 -18.77 13.69 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.01 0.524 . . . . 0.0 111.027 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -101.02 -36.59 8.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.367 0.267 . . . . 0.0 110.592 -175.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -157.46 79.48 3.47 Favored Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 122.392 0.277 . . . . 0.0 110.725 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.73 179.31 5.36 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.201 2.6 . . . . 0.0 109.495 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.97 46.36 2.26 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 -173.23 2.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.506 1.122 . . . . 0.0 109.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -143.1 105.46 4.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.366 0.266 . . . . 0.0 111.462 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CG ' HG12 ' B' ' 79' ' ' VAL . 47.0 m-85 -81.94 152.67 26.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.283 0.563 . . . . 0.0 110.801 174.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.6 111.84 6.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.964 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.27 148.28 51.01 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.942 0.497 . . . . 0.0 109.927 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.96 158.47 39.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.586 0.755 . . . . 0.0 110.217 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -52.14 173.93 0.03 OUTLIER 'General case' 0 C--N 1.338 0.109 0 C-N-CA 127.206 2.203 . . . . 0.0 115.391 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 173.14 11.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.052 0.941 . . . . 0.0 112.591 -174.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 76.1 p -158.89 168.77 25.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.675 1.19 . . . . 0.0 108.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 -175.04 20.23 Favored Glycine 0 CA--C 1.526 0.722 0 CA-C-O 121.059 0.255 . . . . 0.0 112.536 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -124.2 20.38 8.96 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.457 1.103 . . . . 0.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.0 m 78.75 -1.99 2.35 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.179 1.792 . . . . 0.0 113.093 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -126.36 -0.59 6.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.031 0.532 . . . . 0.0 110.559 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.3 13.87 2.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.332 1.453 . . . . 0.0 109.347 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -54.26 138.97 37.62 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.588 1.155 . . . . 0.0 111.143 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.27 159.11 42.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.022 0.529 . . . . 0.0 110.066 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -141.58 173.3 11.63 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.059 1.344 . . . . 0.0 108.412 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.43 158.63 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 118.437 -1.305 . . . . 0.0 111.459 175.189 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.3 mmm -126.6 156.08 41.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.719 1.207 . . . . 0.0 107.95 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -134.86 169.78 16.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' B' ' 61' ' ' TYR . 1.4 t -146.54 158.25 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.07 109.66 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 137.6 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.0 11.66 1.03 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.17 0.588 . . . . 0.0 112.459 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.46 -11.08 68.99 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.776 0.703 . . . . 0.0 111.371 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.83 169.29 18.13 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.94 144.4 50.81 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -139.92 166.03 25.73 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.629 0.372 . . . . 0.0 111.451 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -147.9 162.21 39.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.511 0.724 . . . . 0.0 109.632 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 113.0 0.41 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.9 p -91.57 167.24 12.36 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.276 0.538 . . . . 0.0 111.054 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.8 171.64 44.52 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -73.39 -14.37 61.26 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -146.71 168.75 20.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.44 -26.1 67.05 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.6 -49.13 22.85 Favored 'General case' 0 C--N 1.337 0.051 0 CA-C-N 118.1 0.409 . . . . 0.0 110.661 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.23 -39.23 94.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.268 1.027 . . . . 0.0 109.192 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.71 -49.05 79.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.821 0.449 . . . . 0.0 110.616 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.49 -37.41 86.73 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 122.06 -0.4 . . . . 0.0 110.753 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.58 71.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.35 0.523 . . . . 0.0 110.727 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -75.28 -50.46 16.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.868 0.467 . . . . 0.0 110.763 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.76 81.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.655 0.382 . . . . 0.0 110.932 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.81 68.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.26 0.624 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -64.85 -35.33 80.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.1 m -68.76 -46.38 68.97 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.71 -42.11 83.1 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.784 0.433 . . . . 0.0 110.396 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.62 -63.62 1.17 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.758 0.823 . . . . 0.0 109.932 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.49 8.74 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 94.0 m -99.79 -56.18 2.45 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-N 119.041 0.837 . . . . 0.0 111.366 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.14 -28.09 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 122.225 0.21 . . . . 0.0 111.529 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.0 m-30 -92.7 -4.57 52.99 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 122.144 -0.348 . . . . 0.0 111.162 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 59.21 20.48 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.532 0.733 . . . . 0.0 112.13 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 87.9 mt -123.68 -164.38 1.22 Allowed 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.633 1.173 . . . . 0.0 110.079 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -139.62 162.03 36.09 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.505 -1.236 . . . . 0.0 110.457 179.387 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.573 -0.203 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.38 -50.89 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.912 0.485 . . . . 0.0 110.074 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.79 -40.19 94.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.183 0.193 . . . . 0.0 111.013 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.15 -52.95 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.62 -43.11 99.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.008 0.523 . . . . 0.0 109.832 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -66.0 -4.82 7.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.477 0.711 . . . . 0.0 111.809 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -117.42 -22.35 8.24 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.481 0.312 . . . . 0.0 110.454 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.663 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.4 OUTLIER -75.6 -46.28 32.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -164.23 91.35 1.05 Allowed Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 122.758 0.423 . . . . 0.0 109.961 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.76 176.07 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.231 2.621 . . . . 0.0 110.283 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.83 51.19 0.75 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.784 -0.527 . . . . 0.0 111.784 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 -176.47 4.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 110.9 -176.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -137.37 156.42 48.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 175.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.8 m-85 -130.53 154.58 47.65 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -140.36 112.04 7.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.094 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -74.32 146.72 42.88 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.99 155.74 43.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.314 0.645 . . . . 0.0 110.27 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -56.31 172.98 0.19 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.726 1.61 . . . . 0.0 113.887 -171.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.68 169.8 15.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.264 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -153.61 176.8 11.66 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.188 0.995 . . . . 0.0 109.649 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.22 179.82 33.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.52 171.65 14.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.054 0.542 . . . . 0.0 110.768 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m -68.06 -9.35 45.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -120.87 2.17 10.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.941 0.896 . . . . 0.0 111.2 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.8 17.95 2.32 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.078 0.951 . . . . 0.0 110.243 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . 0.459 ' HG2' ' CZ ' ' B' ' 75' ' ' PHE . 29.5 tptt -56.46 153.89 9.31 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.86 0.864 . . . . 0.0 111.207 -175.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -139.52 86.2 2.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.802 0.441 . . . . 0.0 110.883 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' B' ' 73' ' ' LYS . 21.3 m-85 -77.73 166.06 23.43 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -144.37 157.03 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.778 175.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -141.61 133.92 28.0 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -120.51 172.49 7.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.17 166.23 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.343 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -136.98 109.57 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.22 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 122.998 0.519 . . . . 0.0 109.753 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.34 7.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.326 1.051 . . . . 0.0 113.016 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.43 33.03 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 124.0 0.81 . . . . 0.0 111.672 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.46 174.19 11.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -133.93 146.02 50.12 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.07 164.45 30.24 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.743 0.417 . . . . 0.0 110.945 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -146.49 160.52 42.01 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.162 0.585 . . . . 0.0 109.657 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.35 107.6 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.9 p -84.37 164.14 19.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.72 0.76 . . . . 0.0 110.381 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.7 168.09 40.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -70.68 -13.22 61.99 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 122.658 -0.319 . . . . 0.0 111.557 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.53 159.95 43.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.393 1.077 . . . . 0.0 109.253 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -65.71 -29.62 70.19 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -71.42 -35.4 70.95 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.373 0.533 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.4 -38.14 65.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.15 -48.82 70.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.401 0.281 . . . . 0.0 110.415 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -63.25 -39.66 95.24 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.827 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.02 85.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.241 0.473 . . . . 0.0 110.696 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.07 -52.23 30.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.906 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.35 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.657 0.383 . . . . 0.0 111.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.6 66.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.684 0.394 . . . . 0.0 110.755 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -65.93 -35.51 80.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -67.28 -43.96 80.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.99 69.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.776 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' B' ' 109' ' ' PHE . 1.5 tm? -69.75 -64.85 0.8 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.36 -16.1 32.07 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -173.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.4 m -96.26 -62.26 1.3 Allowed 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.66 0.664 . . . . 0.0 111.811 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.98 -30.64 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 117.982 0.355 . . . . 0.0 111.728 -173.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.663 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 12.6 m-85 -90.23 -4.76 57.0 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.723 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 59.51 18.31 6.83 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.788 0.835 . . . . 0.0 112.459 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 75.1 mt -116.72 -163.81 0.94 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.907 0.883 . . . . 0.0 110.468 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.78 170.2 13.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 109.456 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.745 -177.147 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 N--CA 1.456 -0.729 0 N-CA-C 110.525 -0.606 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.04 -52.56 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.323 1.049 . . . . 0.0 110.446 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.9 tpp -71.45 -30.65 66.28 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.399 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.21 -53.85 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.48 -49.35 72.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.398 1.079 . . . . 0.0 109.409 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.74 -4.99 22.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -106.43 -27.41 10.96 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.907 0.776 . . . . 0.0 110.367 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.94 -54.35 6.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -155.87 86.21 3.19 Favored Pre-proline 0 N--CA 1.453 -0.294 0 O-C-N 123.125 0.265 . . . . 0.0 110.427 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.85 177.45 6.99 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.536 2.824 . . . . 0.0 109.975 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.53 46.65 0.78 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.02 -175.23 3.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.881 0.872 . . . . 0.0 110.574 -175.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -138.51 156.33 47.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.2 m-85 -130.63 154.45 47.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -139.91 111.93 7.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.23 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.2 147.09 45.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.14 158.56 37.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.615 0.766 . . . . 0.0 110.201 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -53.86 174.28 0.05 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 126.497 1.919 . . . . 0.0 115.357 -168.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -126.22 173.2 9.45 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.111 0.964 . . . . 0.0 112.448 -175.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -161.94 173.04 15.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.072 0.949 . . . . 0.0 109.592 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.66 172.06 36.18 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.769 0.7 . . . . 0.0 112.951 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.9 176.94 6.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.841 0.856 . . . . 0.0 110.462 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -63.04 -1.92 1.09 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -127.28 2.73 6.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.555 0.742 . . . . 0.0 111.563 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.93 11.21 2.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.916 0.886 . . . . 0.0 110.485 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -55.62 143.15 31.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.986 0.914 . . . . 0.0 111.201 -174.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -141.79 156.47 45.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 37.5 m-85 -139.64 169.56 17.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.362 1.465 . . . . 0.0 107.802 -178.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.78 157.46 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.517 -1.273 . . . . 0.0 110.711 174.018 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tpt -143.72 136.01 26.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.1 p -122.94 172.33 8.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.63 0.372 . . . . 0.0 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.52 166.38 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -137.38 110.0 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.56 127.9 65.24 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.755 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.7 t70 57.36 9.26 0.71 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.946 0.898 . . . . 0.0 112.76 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.46 -13.19 43.38 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.063 0.839 . . . . 0.0 111.698 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 173.95 11.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -133.89 145.87 50.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -141.61 163.87 31.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.713 0.405 . . . . 0.0 110.881 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -146.39 162.22 38.69 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 109.714 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.45 106.39 0.22 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.7 p -82.9 164.57 20.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 117.611 0.705 . . . . 0.0 110.183 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.32 173.0 43.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.75 -13.03 60.06 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.835 0.454 . . . . 0.0 111.563 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -150.84 167.66 26.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.717 0.807 . . . . 0.0 109.68 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -62.41 -44.81 95.55 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 123.363 0.665 . . . . 0.0 112.589 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -66.11 -34.66 78.56 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 122.38 -0.2 . . . . 0.0 111.166 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.93 -38.28 69.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.93 74.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -63.83 -37.95 89.27 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.669 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.23 83.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.414 0.552 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.46 -53.73 15.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.721 0.408 . . . . 0.0 110.661 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.16 77.64 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.567 0.347 . . . . 0.0 111.592 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.19 69.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.482 0.313 . . . . 0.0 110.502 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -62.21 -37.32 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.9 m -67.55 -45.69 74.91 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.066 0.394 . . . . 0.0 110.147 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.5 -42.78 88.43 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.496 0.319 . . . . 0.0 110.287 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 5.8 tt -61.12 -65.94 0.61 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.324 1.05 . . . . 0.0 109.395 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.5 -10.81 2.38 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.5 m -104.64 -55.03 2.41 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.957 0.799 . . . . 0.0 111.661 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.91 -27.31 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 118.143 0.428 . . . . 0.0 110.486 -175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.404 ' CD2' ' HG ' ' B' ' 105' ' ' LEU . 5.4 m-30 -92.72 -4.99 52.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.358 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 59.25 20.62 8.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.504 0.722 . . . . 0.0 112.602 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 77.9 mt -119.08 -165.13 1.1 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.046 0.939 . . . . 0.0 110.504 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . 0.513 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.4 t-80 -135.81 -178.73 5.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.281 0.632 . . . . 0.0 109.874 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.513 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.379 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.505 -0.229 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.61 -51.93 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.3 mmt -69.25 -30.32 68.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.23 -54.97 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.9 -50.06 73.67 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.145 0.978 . . . . 0.0 109.439 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.46 -10.5 44.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.739 . . . . 0.0 112.816 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -105.66 -30.75 9.27 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.456 0.571 . . . . 0.0 110.759 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.9 tt -78.1 -50.79 11.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.442 -0.162 . . . . 0.0 110.771 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -153.67 80.54 5.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 178.11 5.76 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.387 2.725 . . . . 0.0 110.024 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.71 46.19 1.06 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.131 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.51 -174.5 3.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.332 1.053 . . . . 0.0 109.932 -177.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -139.21 154.06 47.97 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 32.5 m-85 -128.93 154.37 46.62 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -141.04 112.01 7.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -68.75 147.64 51.5 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.714 0.406 . . . . 0.0 109.944 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.07 157.5 41.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.513 0.725 . . . . 0.0 110.016 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.2 m -53.61 173.74 0.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.428 1.891 . . . . 0.0 115.114 -168.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB2' ' HE3' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -118.17 171.92 7.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.231 -175.238 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -149.35 170.81 17.67 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.168 0.987 . . . . 0.0 109.925 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.86 173.41 49.49 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 123.589 0.614 . . . . 0.0 112.806 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -80.46 -174.06 4.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.266 1.026 . . . . 0.0 110.42 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 26.4 p -59.97 -11.64 6.17 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.232 0.613 . . . . 0.0 111.791 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -121.78 155.95 34.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.892 1.277 . . . . 0.0 107.917 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.77 20.16 1.09 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.704 0.402 . . . . 0.0 111.72 -172.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' B' ' 66' ' ' GLU . 42.3 tptt -56.03 152.62 10.11 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.493 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -141.48 153.59 45.03 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.74 0.416 . . . . 0.0 110.51 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -142.69 172.13 13.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.772 1.629 . . . . 0.0 107.709 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.92 159.06 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.777 174.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 87.7 mmm -127.33 157.01 41.05 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 107.972 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -134.37 170.65 15.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 167.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 2.0 t -145.96 161.38 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.16 109.65 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.4 138.22 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.73 12.22 1.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.249 0.619 . . . . 0.0 112.459 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.29 -11.28 70.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.28 170.07 17.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -133.01 144.19 49.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.01 167.19 22.61 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.529 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -146.8 162.3 38.88 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.85 111.69 0.35 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.1 p -91.0 164.77 13.85 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 117.31 0.555 . . . . 0.0 111.026 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.95 169.44 41.84 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.95 -10.6 59.64 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.411 0.605 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.18 162.81 38.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.545 1.138 . . . . 0.0 109.31 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.03 -34.64 78.93 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.82 -44.12 78.02 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 118.135 0.425 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.13 -39.56 86.61 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.33 83.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.442 0.297 . . . . 0.0 110.966 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -66.17 -39.33 89.67 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 122.061 -0.399 . . . . 0.0 110.496 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.77 71.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.134 0.425 . . . . 0.0 110.512 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.13 -55.34 6.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.929 0.491 . . . . 0.0 110.615 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.41 79.31 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.656 0.382 . . . . 0.0 111.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.8 72.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.205 0.602 . . . . 0.0 110.388 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -65.26 -37.34 86.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.2 m -67.89 -43.66 78.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 118.243 0.474 . . . . 0.0 110.231 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.58 87.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.848 0.459 . . . . 0.0 110.137 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.3 -59.89 4.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.604 0.762 . . . . 0.0 109.467 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.16 -16.62 8.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -103.15 -55.94 2.32 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 118.589 0.631 . . . . 0.0 111.599 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.28 -29.53 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.059 0 C-N-CA 122.287 0.235 . . . . 0.0 111.188 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.0 m-30 -91.38 -8.74 47.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 122.249 -0.282 . . . . 0.0 111.139 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.26 18.12 4.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 111.288 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.32 108.86 10.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.886 1.275 . . . . 0.0 109.312 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -62.8 157.89 20.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.624 0.25 . . . . 0.0 110.601 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.668 -1.158 . . . . 0.0 110.324 179.017 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 N--CA 1.455 -0.786 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -52.07 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.587 0.755 . . . . 0.0 110.263 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.2 mtp -75.34 -25.05 57.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.181 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 53.5 mt -61.35 -52.61 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.27 -49.39 77.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.092 0.957 . . . . 0.0 109.7 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.81 -11.95 50.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.391 0.676 . . . . 0.0 112.703 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.32 -31.61 8.99 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.353 0.524 . . . . 0.0 110.799 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.73 -49.42 16.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -154.0 84.06 4.16 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 122.439 0.296 . . . . 0.0 110.375 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.86 178.99 5.19 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.202 2.601 . . . . 0.0 109.943 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.59 53.08 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.37 -178.01 4.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.985 0.914 . . . . 0.0 110.444 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -140.81 106.72 5.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.484 ' CG ' HG11 ' B' ' 79' ' ' VAL . 50.2 m-85 -84.76 152.5 23.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.06 111.74 7.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.901 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.28 147.98 51.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.737 0.415 . . . . 0.0 109.994 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.48 157.6 41.55 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.546 0.738 . . . . 0.0 109.925 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -53.48 174.21 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 126.696 1.999 . . . . 0.0 115.389 -168.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 170.95 10.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.929 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -153.9 168.67 25.58 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.312 1.045 . . . . 0.0 109.819 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 174.37 32.65 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.203 0.43 . . . . 0.0 112.271 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.39 -173.32 3.25 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.809 0.843 . . . . 0.0 110.142 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -66.1 -3.54 5.7 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.114 -0.366 . . . . 0.0 111.238 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -127.5 160.68 30.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.895 1.278 . . . . 0.0 108.148 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.71 15.04 0.33 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.06 0.544 . . . . 0.0 112.342 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.99 155.04 17.58 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.943 0.897 . . . . 0.0 111.077 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.6 m -141.8 156.05 45.57 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.689 0.396 . . . . 0.0 110.398 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -141.8 172.94 11.99 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.436 1.494 . . . . 0.0 107.837 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.9 OUTLIER -148.24 158.71 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 118.208 -1.397 . . . . 0.0 111.687 175.187 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.6 mmm -127.69 156.72 41.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.899 1.28 . . . . 0.0 107.945 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.3 p -134.65 169.08 17.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -146.97 161.95 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.356 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -131.51 109.95 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.577 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.27 8.66 0.6 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.021 0.928 . . . . 0.0 112.868 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.32 -12.78 36.71 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.202 0.906 . . . . 0.0 111.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.07 172.74 13.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -132.87 145.34 50.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -140.82 166.17 25.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.642 0.377 . . . . 0.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.01 162.42 37.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.627 0.771 . . . . 0.0 109.385 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.37 106.08 0.21 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -86.02 164.12 17.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 117.374 0.587 . . . . 0.0 110.623 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.67 172.1 41.77 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -73.14 -14.62 61.41 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 117.088 0.444 . . . . 0.0 112.003 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -150.36 162.2 41.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.387 1.075 . . . . 0.0 108.594 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -32.41 73.58 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -67.66 -48.65 66.03 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.368 0.667 . . . . 0.0 110.426 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.4 -38.68 90.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.444 0.697 . . . . 0.0 109.837 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.15 86.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.813 0.445 . . . . 0.0 111.264 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -65.3 -36.33 83.73 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.978 -0.451 . . . . 0.0 110.714 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.46 69.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.251 0.478 . . . . 0.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -78.1 -51.31 10.47 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.738 0.415 . . . . 0.0 110.94 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.45 84.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.592 0.357 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.66 -36.45 70.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.935 0.494 . . . . 0.0 110.759 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -66.13 -36.66 83.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.3 m -67.05 -44.64 79.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.74 95.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.453 0.301 . . . . 0.0 110.429 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.36 -66.9 0.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.056 0.942 . . . . 0.0 109.75 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.36 -15.94 7.75 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.6 m -97.04 -58.06 2.12 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.68 0.673 . . . . 0.0 111.127 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.06 -28.96 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 117.815 0.28 . . . . 0.0 110.89 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -92.17 -5.42 52.63 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.338 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 58.86 21.48 9.14 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.407 0.683 . . . . 0.0 112.675 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.56 -167.3 1.44 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.767 0.827 . . . . 0.0 110.674 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.0 t-80 -132.75 -177.75 4.63 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.124 0.569 . . . . 0.0 110.055 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.528 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.9 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.412 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.413 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 77.1 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.06 -47.94 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.553 0.341 . . . . 0.0 110.117 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.8 mmt -69.91 -45.43 67.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.413 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.7 pt -60.27 -36.02 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 CA-C-N 119.076 0.853 . . . . 0.0 110.569 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.61 -53.69 43.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.99 -10.61 6.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.467 1.507 . . . . 0.0 113.504 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.08 -18.5 11.67 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 118.76 0.709 . . . . 0.0 111.826 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.419 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -88.66 -49.8 6.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -158.53 83.18 2.64 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.715 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.21 178.93 5.45 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.448 2.765 . . . . 0.0 109.644 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.32 31.07 1.2 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 112.261 -0.335 . . . . 0.0 112.261 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 -172.72 2.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.588 0.755 . . . . 0.0 110.686 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' B' ' 60' ' ' LYS . 13.1 ptpt -148.3 156.82 43.01 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.408 ' CG ' HG11 ' B' ' 79' ' ' VAL . 30.7 m-85 -126.68 155.15 43.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 118.243 0.474 . . . . 0.0 110.24 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -140.12 112.17 7.61 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.388 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.31 148.33 50.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.879 0.472 . . . . 0.0 110.12 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.68 157.45 42.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.621 0.768 . . . . 0.0 109.922 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -54.44 175.19 0.05 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.666 1.986 . . . . 0.0 115.475 -168.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 171.31 9.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.024 0.93 . . . . 0.0 112.511 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 172.84 15.84 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.276 1.03 . . . . 0.0 110.037 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.24 175.94 50.95 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.738 0.685 . . . . 0.0 113.026 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -93.77 175.72 6.62 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.024 0.93 . . . . 0.0 110.12 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -63.19 -3.16 1.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.99 1.2 10.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.517 0.727 . . . . 0.0 111.542 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.28 14.08 1.82 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.091 0.956 . . . . 0.0 109.959 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -56.85 147.18 24.07 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.256 1.023 . . . . 0.0 111.933 -172.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -143.51 155.48 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.354 0.662 . . . . 0.0 109.472 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -141.2 171.78 13.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.289 1.436 . . . . 0.0 108.026 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.78 158.92 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 118.386 -1.325 . . . . 0.0 111.538 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.6 mmm -126.44 156.75 40.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.726 1.21 . . . . 0.0 107.998 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 95.1 p -133.94 170.74 15.18 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.8 t -147.36 159.68 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -134.16 109.91 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 170.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.86 137.86 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.737 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.48 12.49 1.07 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.222 0.609 . . . . 0.0 112.453 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.8 -10.73 72.05 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -80.03 169.54 17.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -131.52 143.9 50.73 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -138.07 167.18 22.34 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 111.656 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.33 162.91 37.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.898 0.879 . . . . 0.0 109.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.86 108.44 0.26 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.5 p -89.56 163.58 15.13 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.269 0.534 . . . . 0.0 110.76 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.09 170.2 41.33 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -74.23 -10.8 59.96 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.481 0.641 . . . . 0.0 112.005 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -148.48 164.49 34.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.555 1.142 . . . . 0.0 109.681 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.42 -36.69 84.99 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.9 -46.18 79.26 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 123.125 0.57 . . . . 0.0 110.806 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.32 -39.59 85.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.18 84.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.915 0.486 . . . . 0.0 111.058 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -65.88 -39.09 90.35 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.034 -0.416 . . . . 0.0 110.443 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.98 71.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.242 0.473 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -75.14 -52.35 11.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.964 0.505 . . . . 0.0 110.854 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.62 78.7 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.8 69.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.202 0.601 . . . . 0.0 110.726 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -66.27 -37.75 86.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -67.49 -44.69 77.88 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.07 89.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.929 0.491 . . . . 0.0 110.276 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.35 -64.02 1.09 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.595 0.758 . . . . 0.0 109.816 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.91 -14.0 5.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.1 m -99.29 -57.46 2.15 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 118.674 0.67 . . . . 0.0 111.013 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.98 -26.32 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 122.581 0.352 . . . . 0.0 111.476 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.8 m-30 -93.72 -4.95 49.52 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.974 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 59.22 21.24 9.35 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.686 0.795 . . . . 0.0 112.554 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.89 -167.58 1.51 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.899 0.879 . . . . 0.0 110.729 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . 0.507 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.0 t-80 -132.45 -179.91 5.73 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.929 0.492 . . . . 0.0 110.177 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.507 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.129 -1.415 . . . . 0.0 110.431 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo . . . . . 0 N--CA 1.457 -0.658 0 N-CA-C 111.559 -0.208 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.16 -49.78 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 122.977 0.511 . . . . 0.0 109.949 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.0 tpp -67.24 -36.89 82.59 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.07 -54.38 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.11 -48.55 75.97 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.188 0.995 . . . . 0.0 109.529 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -67.75 -9.74 46.57 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.506 0.722 . . . . 0.0 112.864 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.1 -42.97 6.5 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -70.81 -51.31 27.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.61 0.364 . . . . 0.0 111.418 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -152.26 79.83 6.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.09 177.73 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.581 2.854 . . . . 0.0 109.963 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.85 1.37 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.44 -0.409 . . . . 0.0 112.572 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -177.67 4.07 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.737 0.815 . . . . 0.0 110.568 -175.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -138.1 158.1 44.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 32.4 m-85 -130.68 155.41 46.64 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.87 112.44 7.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.358 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.92 148.25 50.46 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.27 157.43 41.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.73 0.812 . . . . 0.0 109.594 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -56.6 176.55 0.09 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.083 1.753 . . . . 0.0 115.133 -168.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.64 174.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.041 0.936 . . . . 0.0 112.215 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 82.8 p -154.75 173.25 16.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.648 0.779 . . . . 0.0 110.103 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.84 171.42 47.75 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.501 0.572 . . . . 0.0 112.585 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.43 -172.37 3.78 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.266 1.027 . . . . 0.0 110.337 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -61.24 -9.45 5.03 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -120.79 156.8 31.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.1 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.92 19.05 0.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.474 0.31 . . . . 0.0 111.788 -173.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.2 148.55 22.0 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.138 0.975 . . . . 0.0 110.358 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.54 154.22 45.34 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 123.164 0.29 . . . . 0.0 110.526 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -140.73 173.16 11.76 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.911 1.684 . . . . 0.0 107.128 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.75 159.39 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.897 175.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 86.2 mmm -128.31 156.34 43.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 108.137 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 92.7 p -133.5 170.44 15.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 167.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 2.1 t -146.51 162.67 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.44 109.13 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.57 138.0 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.1 12.39 1.26 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.154 0.582 . . . . 0.0 112.51 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.04 -11.41 70.8 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 170.21 16.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -132.52 145.12 50.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.33 168.17 20.43 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.502 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -146.39 162.06 39.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.667 0.787 . . . . 0.0 109.223 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.03 106.98 0.23 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -85.32 166.66 16.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.344 0.572 . . . . 0.0 110.49 175.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.0 172.19 44.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -69.39 -19.15 63.82 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 117.088 0.444 . . . . 0.0 112.196 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.54 174.84 12.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.798 0.839 . . . . 0.0 109.684 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -61.85 -40.16 94.36 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.835 0.854 . . . . 0.0 112.395 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.36 -49.98 50.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 122.866 0.466 . . . . 0.0 110.983 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -38.19 85.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.57 0.748 . . . . 0.0 109.965 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.59 73.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.65 0.38 . . . . 0.0 110.756 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -64.0 -35.02 79.33 Favored 'General case' 0 C--O 1.225 -0.194 0 O-C-N 122.043 -0.411 . . . . 0.0 110.526 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.45 78.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.045 0.384 . . . . 0.0 110.299 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.14 -49.22 29.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.726 0.41 . . . . 0.0 110.839 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.32 86.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.548 0.339 . . . . 0.0 110.884 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 -37.46 66.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.882 0.473 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.43 -40.06 93.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 61.4 m -68.63 -43.5 76.2 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.76 90.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.97 0.508 . . . . 0.0 110.852 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 7.9 tt -64.2 -62.38 1.65 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.676 0.39 . . . . 0.0 110.412 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.95 56.8 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -79.46 -57.49 3.67 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 118.495 0.589 . . . . 0.0 111.223 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.44 -28.67 42.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 122.549 0.339 . . . . 0.0 111.527 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.7 m-30 -94.94 0.81 55.03 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.35 -0.834 . . . . 0.0 111.002 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 13.76 1.31 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.517 1.527 . . . . 0.0 114.385 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.1 174.1 6.11 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.032 0.533 . . . . 0.0 112.074 -174.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -92.29 161.53 14.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.228 -179.726 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.409 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 90.8 Cg_endo . . . . . 0 N--CA 1.454 -0.797 0 N-CA-C 111.951 -0.057 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.36 -51.64 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -74.46 -38.28 63.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.244 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.409 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.4 pt -61.55 -35.9 69.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 C-N-CA 118.549 -1.26 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.35 -59.17 5.06 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -66.91 -0.34 3.02 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.81 -17.8 10.94 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.482 0.583 . . . . 0.0 110.938 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -89.96 -51.05 5.67 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -145.81 81.92 9.67 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.301 0.64 . . . . 0.0 110.23 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.49 176.14 8.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.259 2.639 . . . . 0.0 110.166 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.57 49.52 0.8 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -175.6 3.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.865 0.866 . . . . 0.0 110.314 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' B' ' 60' ' ' LYS . 3.4 mppt? -143.28 113.11 7.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.756 0.423 . . . . 0.0 110.339 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.469 ' CG ' HG13 ' B' ' 79' ' ' VAL . 42.8 m-85 -85.73 155.38 21.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.271 0.557 . . . . 0.0 110.891 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.06 110.42 6.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.967 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -72.42 147.09 46.49 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.4 158.1 39.24 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.447 0.699 . . . . 0.0 110.361 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -53.1 173.81 0.04 OUTLIER 'General case' 0 C--O 1.23 0.077 0 C-N-CA 126.815 2.046 . . . . 0.0 115.393 -168.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.24 173.9 10.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.26 1.024 . . . . 0.0 112.634 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -159.71 167.03 29.3 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.856 1.263 . . . . 0.0 108.618 175.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.56 -172.01 23.23 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 121.168 0.316 . . . . 0.0 112.857 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.34 21.17 5.68 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.603 1.161 . . . . 0.0 111.609 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.6 m 76.09 -1.67 2.9 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.045 1.738 . . . . 0.0 113.107 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -127.51 0.02 6.23 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.652 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.43 14.99 2.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.044 1.337 . . . . 0.0 109.637 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -56.86 142.16 42.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.589 1.156 . . . . 0.0 111.578 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.0 m -142.02 159.32 42.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.375 0.67 . . . . 0.0 109.781 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -141.16 170.83 15.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 125.015 1.326 . . . . 0.0 108.465 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.26 156.86 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 118.445 -1.302 . . . . 0.0 110.79 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -142.21 133.54 26.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -123.85 173.07 8.42 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.469 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.29 160.68 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.866 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.49 111.02 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.81 138.7 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.67 11.73 0.96 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.27 -10.9 71.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -80.01 170.03 17.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -132.09 144.93 51.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.33 163.63 32.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.001 0.52 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -146.04 162.49 37.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.962 0.505 . . . . 0.0 109.923 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.81 103.3 0.18 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.8 p -81.27 163.87 22.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.493 0.646 . . . . 0.0 110.15 175.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.84 174.33 43.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.12 -15.53 61.48 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.974 0.51 . . . . 0.0 111.916 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -155.21 167.81 29.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.273 1.029 . . . . 0.0 109.563 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -63.12 -40.97 99.17 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.29 0.636 . . . . 0.0 112.109 -175.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -62.81 -39.16 93.4 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.289 0.635 . . . . 0.0 110.346 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.67 -39.75 57.08 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.546 0.739 . . . . 0.0 110.617 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -49.59 74.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -63.67 -37.82 88.8 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 119.314 -0.375 . . . . 0.0 111.064 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.87 71.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.405 0.548 . . . . 0.0 110.953 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -75.64 -51.0 13.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.833 0.453 . . . . 0.0 110.777 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.771 0.429 . . . . 0.0 111.442 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.36 -33.19 69.34 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.569 0.348 . . . . 0.0 110.701 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -66.43 -38.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -68.63 -43.66 75.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.071 0.548 . . . . 0.0 110.594 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -57.97 10.16 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.392 0.677 . . . . 0.0 110.032 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.68 42.94 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -92.65 -56.68 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.374 0.534 . . . . 0.0 111.476 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.91 -28.88 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.45 0.3 . . . . 0.0 111.717 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.8 m-30 -95.68 -0.79 51.2 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.379 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 51.67 17.18 0.55 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.809 1.243 . . . . 0.0 112.785 -173.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 47.6 mt -130.18 107.14 9.08 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.765 1.226 . . . . 0.0 109.643 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.26 158.09 14.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.609 0.242 . . . . 0.0 110.805 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.634 179.402 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.454 -0.812 0 N-CA-C 111.224 -0.337 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.53 -50.63 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.478 0.711 . . . . 0.0 110.009 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.81 -36.1 77.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.766 -0.159 . . . . 0.0 111.425 -176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mt -56.12 -53.99 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.06 -50.48 73.3 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.595 0.758 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -67.1 -5.7 14.4 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.71 0.804 . . . . 0.0 112.951 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.0 -32.92 6.43 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.619 0.645 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -74.25 -59.65 2.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -145.51 83.08 9.19 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 122.913 0.485 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.68 177.2 7.16 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.085 2.523 . . . . 0.0 109.968 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.18 50.66 0.53 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.98 -177.09 4.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.803 0.841 . . . . 0.0 110.564 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 50.5 mtmt -143.11 110.02 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.469 ' CG ' HG12 ' B' ' 79' ' ' VAL . 48.1 m-85 -84.18 156.06 22.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 121.621 0.724 . . . . 0.0 111.275 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -140.64 119.08 12.2 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.747 1.219 . . . . 0.0 108.617 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -82.89 139.53 33.38 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.78 159.21 25.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.501 0.72 . . . . 0.0 109.756 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.15 173.71 0.07 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -167.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 174.29 6.91 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.857 0.863 . . . . 0.0 112.319 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -158.66 174.82 14.46 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.301 1.04 . . . . 0.0 109.325 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -177.6 46.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.013 0.34 . . . . 0.0 112.662 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.62 179.98 3.9 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.749 1.219 . . . . 0.0 109.783 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.1 m -60.01 3.31 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -129.49 -0.33 4.99 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 111.746 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.52 11.44 0.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.358 0.663 . . . . 0.0 111.033 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -54.97 143.78 25.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.712 0.805 . . . . 0.0 111.652 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 p -142.83 155.25 44.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.499 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -139.12 161.71 36.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -134.88 153.89 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 117.954 -1.499 . . . . 0.0 110.426 177.24 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -138.57 134.28 33.62 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -130.82 169.63 15.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -174.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.469 HG12 ' CG ' ' B' ' 61' ' ' TYR . 0.7 OUTLIER -146.82 161.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.376 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.61 112.83 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 169.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -137.26 138.85 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.91 11.84 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.34 70.02 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -79.25 170.35 16.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -131.45 145.68 51.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 110.222 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -140.92 162.75 34.72 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.514 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -147.17 159.89 43.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.055 0.942 . . . . 0.0 108.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.12 100.72 0.16 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 43.0 t -78.69 160.02 27.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.477 0.639 . . . . 0.0 110.277 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.12 174.26 41.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.36 -15.83 61.36 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -153.82 170.97 19.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 109.801 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.93 -47.95 83.7 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 123.011 0.524 . . . . 0.0 111.959 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.89 -43.17 99.39 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 122.505 0.322 . . . . 0.0 111.295 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.07 -38.84 86.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.668 0.387 . . . . 0.0 110.135 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.36 76.39 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -63.75 -38.86 92.7 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 122.185 -0.322 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.87 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.326 0.512 . . . . 0.0 110.818 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -74.37 -54.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.968 0.507 . . . . 0.0 110.639 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.21 75.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.533 0.333 . . . . 0.0 111.73 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.48 68.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.495 0.318 . . . . 0.0 110.245 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -64.39 -36.07 82.96 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 65.0 m -70.22 -44.51 68.46 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.61 88.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.017 0.527 . . . . 0.0 110.146 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.48 -59.35 5.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.871 0.868 . . . . 0.0 109.396 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.15 -17.83 12.61 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.4 m -100.78 -57.77 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.423 0.556 . . . . 0.0 111.653 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -66.53 -30.91 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 122.573 0.349 . . . . 0.0 111.506 -174.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.6 m-30 -89.68 -8.7 51.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.956 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.21 19.1 4.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.454 0.701 . . . . 0.0 111.288 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.2 mt -131.32 108.85 9.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.84 1.256 . . . . 0.0 109.261 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -62.69 158.19 19.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.555 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.498 178.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 112.979 0.338 . . . . 0.0 112.979 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.01 -46.0 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 118.455 0.57 . . . . 0.0 109.99 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.1 tpp -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.7 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 pt -62.71 -37.91 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.626 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.24 -50.43 73.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.74 -10.28 12.21 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.903 1.281 . . . . 0.0 112.659 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.61 -13.19 14.86 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.832 0.742 . . . . 0.0 111.668 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.1 tt -104.93 -38.82 6.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.596 0.18 . . . . 0.0 110.892 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -157.15 80.31 3.45 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 122.26 0.224 . . . . 0.0 110.809 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.13 178.29 6.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.147 2.565 . . . . 0.0 109.284 173.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 40.83 2.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.22 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.48 -176.91 3.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.323 1.049 . . . . 0.0 110.092 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.21 155.08 49.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CG ' HG11 ' B' ' 79' ' ' VAL . 34.4 m-85 -128.69 154.08 46.67 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -139.74 114.27 9.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.229 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.99 148.03 50.72 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.869 0.467 . . . . 0.0 110.165 175.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.44 161.23 30.85 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.798 0.839 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -49.59 172.54 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.377 2.271 . . . . 0.0 116.237 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 11.5 pt-20 -130.57 159.24 37.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 110.804 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 61.8 m -155.18 170.36 22.02 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.572 0.749 . . . . 0.0 110.448 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.41 37.26 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.892 0.758 . . . . 0.0 112.572 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -87.65 175.25 7.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.304 0.642 . . . . 0.0 110.073 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -62.72 -3.17 1.39 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -123.59 3.65 8.96 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.766 0.826 . . . . 0.0 111.197 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.86 11.85 1.83 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.133 0.973 . . . . 0.0 110.436 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -57.0 147.85 22.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.683 1.193 . . . . 0.0 111.69 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -146.02 161.3 40.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.097 0.559 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 32.8 m-85 -146.05 171.53 14.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.783 1.233 . . . . 0.0 108.272 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -147.56 160.14 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.332 175.385 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.2 mmm -128.99 158.63 38.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.732 1.213 . . . . 0.0 108.107 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -135.29 170.89 15.24 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.436 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.6 t -147.32 166.23 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.94 109.13 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.95 126.02 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.934 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 57.78 8.92 0.76 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.206 1.002 . . . . 0.0 112.896 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.1 -13.16 34.12 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.135 0.874 . . . . 0.0 111.819 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.9 173.55 12.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -133.81 145.94 50.21 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -141.41 167.59 21.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.581 0.352 . . . . 0.0 111.656 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.92 161.23 42.29 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.291 0.637 . . . . 0.0 109.919 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.75 120.06 0.74 Allowed Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 92.4 p -92.48 170.26 9.9 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 117.009 0.405 . . . . 0.0 110.902 177.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.37 172.08 43.36 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.56 -14.74 60.83 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 122.544 -0.386 . . . . 0.0 111.03 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -147.78 165.24 31.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.127 0.971 . . . . 0.0 109.449 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.85 -38.72 89.27 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -69.27 -39.17 78.56 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-O 120.671 0.272 . . . . 0.0 110.888 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.98 -37.2 69.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.267 0.627 . . . . 0.0 110.002 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.23 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.751 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -64.23 -33.24 75.36 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 122.151 -0.343 . . . . 0.0 110.207 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.18 80.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.168 0.44 . . . . 0.0 110.988 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -71.28 -53.78 13.1 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.441 0.564 . . . . 0.0 110.516 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.07 79.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.314 0.246 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.04 63.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.126 0.57 . . . . 0.0 110.726 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -66.53 -36.22 82.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.152 -0.342 . . . . 0.0 110.25 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -66.58 -45.1 80.36 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.9 89.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.35 0.26 . . . . 0.0 110.452 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.87 -68.05 0.38 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.535 0.734 . . . . 0.0 109.854 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.42 -16.2 8.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -93.83 -60.25 1.8 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.724 0.693 . . . . 0.0 111.002 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.18 -28.29 43.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 O-C-N 122.3 -0.25 . . . . 0.0 111.21 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.9 m-30 -91.35 -0.32 57.63 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.521 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 54.9 14.13 0.86 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.745 1.218 . . . . 0.0 113.775 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 mt -118.5 -165.43 1.12 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.577 1.151 . . . . 0.0 110.418 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -136.96 162.07 34.28 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.307 -1.33 . . . . 0.0 110.503 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.403 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 71.7 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.78 -44.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.37 -50.41 59.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.889 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.403 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.1 pt -57.07 -40.67 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 118.984 0.811 . . . . 0.0 110.68 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.72 -52.72 63.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.03 -4.83 3.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.486 1.115 . . . . 0.0 112.809 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.37 -13.88 13.84 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.929 0.492 . . . . 0.0 111.008 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -107.3 -34.75 7.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.565 0.346 . . . . 0.0 111.296 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -154.07 71.47 6.4 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 122.687 0.395 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.24 178.89 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.142 2.561 . . . . 0.0 109.406 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.35 54.78 2.48 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -174.92 3.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.85 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -140.52 101.77 4.18 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.482 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . 0.439 ' CG ' HG12 ' B' ' 79' ' ' VAL . 57.6 m-85 -81.85 151.32 27.39 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.202 0.525 . . . . 0.0 110.411 174.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -138.88 111.71 7.78 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.591 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.16 148.69 50.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.826 0.45 . . . . 0.0 109.957 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -128.65 156.11 43.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.052 0.941 . . . . 0.0 109.185 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -54.28 161.11 1.43 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -167.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . 0.41 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 7.8 pt-20 -81.65 173.03 12.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.053 1.341 . . . . 0.0 112.119 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -158.26 170.4 22.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.689 0.795 . . . . 0.0 110.037 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.94 176.85 38.45 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.472 1.034 . . . . 0.0 113.487 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -81.17 172.5 13.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.134 0.974 . . . . 0.0 110.257 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -66.32 -28.98 69.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -81.78 -6.39 59.02 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.48 22.28 1.66 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.003 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -51.44 141.11 16.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.013 0.925 . . . . 0.0 111.532 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -137.04 161.95 34.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.228 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.1 m-85 -146.45 175.26 10.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.935 1.294 . . . . 0.0 108.157 -176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -146.91 159.42 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.176 176.472 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.0 mmm -129.26 156.79 43.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.492 1.117 . . . . 0.0 108.091 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -133.8 168.6 18.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.439 HG12 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.65 162.25 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.133 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.91 110.13 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 170.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.9 t -126.81 120.19 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.207 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.89 5.08 0.46 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.606 1.163 . . . . 0.0 112.998 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.13 11.95 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.451 1.024 . . . . 0.0 112.113 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -76.59 171.04 15.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 117.619 0.71 . . . . 0.0 109.32 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.1 143.88 49.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -140.5 167.12 22.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.766 0.317 . . . . 0.0 111.668 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.77 161.5 39.79 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.881 0.872 . . . . 0.0 109.177 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.18 107.45 0.23 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.4 p -83.42 167.73 17.22 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.378 0.589 . . . . 0.0 110.507 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.38 171.53 44.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.48 -11.56 60.5 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -140.49 164.45 30.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -67.63 -28.66 67.92 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.794 173.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.39 -49.25 35.28 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.378 1.071 . . . . 0.0 110.044 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.72 -41.05 98.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.077 0.951 . . . . 0.0 109.605 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.55 93.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.626 0.37 . . . . 0.0 110.773 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -64.47 -34.84 79.14 Favored 'General case' 0 C--O 1.225 -0.234 0 O-C-N 122.155 -0.341 . . . . 0.0 110.534 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.64 -32.24 73.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.402 0.547 . . . . 0.0 110.506 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.63 -50.15 18.88 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.404 0.281 . . . . 0.0 110.96 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.85 81.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.96 70.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.577 0.351 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -62.66 -36.2 82.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.6 m -69.25 -44.73 71.34 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.64 80.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 110.79 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.35 -68.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 109.704 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.6 -48.77 28.13 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.5 m -65.98 -61.86 1.81 Allowed 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.06 0.391 . . . . 0.0 111.76 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.38 -24.76 29.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -171.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.6 m-30 -92.48 -3.98 54.34 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.111 -0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 59.11 25.88 14.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.636 0.775 . . . . 0.0 111.892 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.44 -168.62 1.91 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.205 1.002 . . . . 0.0 110.749 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' HIS . . . . . 0.496 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 36.9 t-80 -134.37 -179.97 5.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.511 0.724 . . . . 0.0 109.571 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' LEU . . . . . 0.496 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.426 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 N--CA 1.478 0.585 0 CA-C-O 119.954 -0.102 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -72.11 -9.05 57.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.1 171.3 13.64 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -144.24 9.96 1.47 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.255 1.022 . . . . 0.0 111.691 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.405 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 25.8 p30 -133.91 164.84 41.13 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 122.766 0.426 . . . . 0.0 112.084 -171.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' B' ' 47' ' ' ASN . 73.7 Cg_endo -72.3 -11.57 26.86 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.683 2.922 . . . . 0.0 111.588 174.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.62 -50.69 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.07 0.548 . . . . 0.0 110.233 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.95 -36.4 83.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.305 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mt -57.57 -54.63 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.72 -51.03 70.39 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.184 0.994 . . . . 0.0 109.696 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -65.4 -9.67 27.15 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.504 0.722 . . . . 0.0 112.747 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -107.05 -33.28 7.52 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.286 0.494 . . . . 0.0 110.841 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -73.3 -50.84 19.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -153.46 84.84 4.23 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.573 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.46 177.81 6.32 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.139 2.559 . . . . 0.0 109.573 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.34 35.1 1.66 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 -178.36 4.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.88 0.872 . . . . 0.0 110.586 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -137.31 157.23 47.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 35.8 m-85 -130.36 154.09 48.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -138.93 110.92 7.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.225 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -71.79 146.26 48.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.47 158.31 37.72 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.655 0.782 . . . . 0.0 109.913 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -53.57 173.74 0.05 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.413 1.885 . . . . 0.0 115.366 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.31 170.48 8.67 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.16 0.984 . . . . 0.0 112.215 -175.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -151.02 172.25 16.02 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.092 0.957 . . . . 0.0 110.296 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.44 174.46 46.09 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 123.861 0.743 . . . . 0.0 113.026 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -81.99 173.66 11.99 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 -14.37 60.63 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -106.24 -0.3 24.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.991 0.516 . . . . 0.0 111.782 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.05 18.87 2.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.285 1.034 . . . . 0.0 109.616 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -56.57 152.45 11.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.443 1.097 . . . . 0.0 112.225 -171.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.2 p -144.84 158.37 43.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.585 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -144.01 170.56 15.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.793 1.237 . . . . 0.0 108.358 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.2 OUTLIER -144.12 157.5 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.476 172.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpt -143.93 133.55 23.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -120.97 173.17 7.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.92 165.63 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.503 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.0 110.49 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.91 128.41 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 57.45 9.53 0.78 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.857 0.863 . . . . 0.0 112.75 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.53 -12.6 47.13 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.155 0.884 . . . . 0.0 111.667 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.2 174.17 11.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -134.19 145.86 49.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.21 164.38 30.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.774 0.43 . . . . 0.0 110.739 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -145.78 162.39 37.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.867 0.467 . . . . 0.0 109.833 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.18 111.27 0.36 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 76.3 p -86.15 171.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.315 0.557 . . . . 0.0 110.384 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.16 171.28 43.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -71.87 -17.69 62.1 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -147.69 171.05 16.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 109.685 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.27 -36.52 83.95 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.46 -41.03 80.77 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 118.077 0.399 . . . . 0.0 110.474 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -40.35 94.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.846 0.859 . . . . 0.0 109.704 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.26 48.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.37 0.268 . . . . 0.0 110.691 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -62.57 -33.39 74.86 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.94 89.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.485 0.584 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -69.48 -49.17 57.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.529 0.332 . . . . 0.0 110.703 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.73 84.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.021 0.529 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.17 73.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 122.112 0.165 . . . . 0.0 110.587 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -62.57 -39.21 92.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -67.0 -45.28 78.04 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.36 90.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.475 0.31 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.04 -66.58 0.52 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.693 0.797 . . . . 0.0 109.433 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.14 60.38 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -71.72 -59.62 2.66 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.959 -0.463 . . . . 0.0 111.891 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.06 -30.31 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 117.833 0.288 . . . . 0.0 111.62 -174.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -88.64 -5.53 58.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.071 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.01 23.22 9.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.547 0.739 . . . . 0.0 112.218 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.34 -164.28 1.31 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.601 1.16 . . . . 0.0 109.963 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -137.95 162.09 34.97 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.342 -1.313 . . . . 0.0 110.467 179.399 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.533 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.303 -3.397 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.533 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.914 3.714 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.524 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.248 -3.452 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.524 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 98.945 -3.755 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.479 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.18 -3.52 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.479 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.19 -3.51 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.389 -3.311 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 111.239 3.039 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.541 -3.159 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.794 -2.906 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.573 -3.127 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.086 -3.614 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.454 -3.246 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.496 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 110.928 2.728 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.776 -2.924 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.654 -3.046 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.367 -3.333 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.272 -3.428 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 112.095 3.895 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.06 -3.64 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 C5'-C4'-C3' 108.274 -4.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 111.115 2.915 . 0.296 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C5'-C4'-C3' 110.022 -3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C5'-C4'-C3' 110.231 -3.513 . 0.638 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.444 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.642 -3.058 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.48 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.37 -3.33 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.48 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.004 -3.696 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.517 HO2' " H5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.309 -3.391 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.517 " H5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 98.894 -3.806 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.68 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 98.903 -3.797 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.68 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.859 -2.841 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.114 -3.586 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.276 -3.424 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.575 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.176 -3.524 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.575 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C4'-C3'-C2' 99.196 -3.504 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.558 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.908 3.708 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.419 HO2' " H5'" ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-N19 111.514 3.314 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.532 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.062 -3.638 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.555 HO2' " H5'" ' A' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.998 -3.702 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.555 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 98.833 -3.867 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.427 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.676 1 C4'-C3'-C2' 98.408 -4.292 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.427 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 112.009 3.809 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo . . . . . 0 N--CA 1.473 0.299 0 N-CA-C 112.499 0.153 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -139.46 -179.73 6.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.67 0.788 . . . . 0.0 109.962 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.16 172.84 14.54 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -129.98 -2.21 4.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.415 1.086 . . . . 0.0 109.919 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 p30 -62.09 163.08 14.61 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 124.255 1.022 . . . . 0.0 110.502 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.411 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 72.9 Cg_endo -72.42 -9.55 24.33 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.154 2.569 . . . . 0.0 111.386 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -52.09 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 122.893 0.477 . . . . 0.0 110.651 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.97 -44.89 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.15 -38.27 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.293 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.61 -56.65 17.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.64 -0.7 2.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.893 0.877 . . . . 0.0 112.968 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -117.76 -9.68 10.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.31 0.505 . . . . 0.0 111.599 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -102.89 -42.73 5.74 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.979 0.354 . . . . 0.0 110.239 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.7 79.21 8.76 Favored Pre-proline 0 N--CA 1.455 -0.194 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.436 ' HG3' HO2' ' A' ' 17' ' ' ' U' . 95.9 Cg_endo -75.07 -177.7 3.67 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.92 3.08 . . . . 0.0 109.702 176.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.55 28.57 5.96 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.066 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.7 -171.79 2.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.58 0.752 . . . . 0.0 110.111 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' B' ' 60' ' ' LYS . 11.1 ptpt -150.43 151.53 32.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.462 ' CG ' HG11 ' B' ' 79' ' ' VAL . 30.3 m-85 -121.24 157.76 29.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.348 0.594 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.06 156.84 43.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.594 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.406 ' C ' HD21 ' B' ' 64' ' ' LEU . 19.1 t80 -116.83 127.11 53.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 175.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.406 HD21 ' C ' ' B' ' 63' ' ' PHE . 3.5 mm? -115.13 161.66 18.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.447 -173.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -51.12 166.28 0.1 Allowed 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -165.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.53 170.0 8.9 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.976 0.911 . . . . 0.0 112.144 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -152.96 172.59 16.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.901 0.88 . . . . 0.0 110.431 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.62 174.34 49.2 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.976 0.798 . . . . 0.0 113.015 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.83 171.73 12.01 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.507 0.723 . . . . 0.0 109.893 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.5 m -62.21 -31.06 71.55 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -83.84 -4.64 58.83 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.78 19.57 1.82 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.502 0.721 . . . . 0.0 110.462 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -55.1 151.51 9.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.108 0.963 . . . . 0.0 111.756 -172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -142.21 159.2 42.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.242 0.617 . . . . 0.0 109.821 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.64 174.6 10.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.755 1.222 . . . . 0.0 108.508 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.17 154.73 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 118.803 -1.159 . . . . 0.0 110.747 172.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mmm -121.84 155.5 35.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 87' ' ' GLU . 59.1 m -136.88 170.36 16.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 172.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.462 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.2 t -148.34 163.42 5.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 121.965 -0.459 . . . . 0.0 110.025 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -134.72 112.13 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.31 129.29 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.645 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 22.2 t70 57.71 7.36 0.55 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.768 0.827 . . . . 0.0 112.453 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.18 -11.4 44.13 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.625 1.107 . . . . 0.0 111.918 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -78.41 171.15 15.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -131.78 142.53 49.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.94 164.99 28.52 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.785 0.434 . . . . 0.0 110.804 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' B' ' 78' ' ' SER . 35.4 tt0 -148.8 159.92 43.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.434 1.094 . . . . 0.0 108.089 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.83 109.53 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -83.3 167.04 17.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.026 0.413 . . . . 0.0 111.488 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.94 171.97 44.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.92 -18.29 62.03 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 117.379 0.589 . . . . 0.0 111.436 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -147.54 169.0 20.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.693 0.797 . . . . 0.0 109.373 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -67.11 -25.52 66.25 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -72.38 -49.19 35.82 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.125 0.57 . . . . 0.0 109.642 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.0 -39.25 87.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.883 1.273 . . . . 0.0 109.952 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.22 78.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -63.47 -34.88 78.75 Favored 'General case' 0 C--N 1.34 0.193 0 O-C-N 121.95 -0.469 . . . . 0.0 110.704 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.8 70.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.239 0.472 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.99 -47.79 17.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.343 0.257 . . . . 0.0 110.951 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.92 84.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.529 0.332 . . . . 0.0 110.517 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.46 -37.41 68.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.859 0.464 . . . . 0.0 110.756 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -63.66 -38.92 92.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -66.39 -45.78 78.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.52 83.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.331 0.252 . . . . 0.0 111.11 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -66.03 -66.89 0.49 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.261 0.624 . . . . 0.0 109.575 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.24 -43.42 52.96 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -70.96 -58.86 3.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.021 -0.424 . . . . 0.0 111.801 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.42 -28.7 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.712 0.233 . . . . 0.0 111.385 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.4 m-30 -92.22 -4.77 53.64 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.949 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.68 24.49 12.22 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.471 0.708 . . . . 0.0 111.98 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.44 -168.31 1.82 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.108 0.963 . . . . 0.0 110.759 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . 0.519 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -131.95 -178.78 5.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 0.0 110.094 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.519 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.402 -177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.446 -3.254 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.898 3.698 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C4'-C3'-C2' 99.261 -3.439 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.414 HO2' " H5'" ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.059 -3.641 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.467 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.708 0 C4'-C3'-C2' 99.081 -3.619 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.467 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.128 -3.572 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 98.961 -3.739 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.575 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.53 -3.17 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.575 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.267 -3.433 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.757 -2.943 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.951 -2.749 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.553 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 98.916 -3.784 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.553 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.27 -3.43 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.496 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.454 -3.246 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.571 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.568 -3.132 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.571 " H5'" HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.202 -3.498 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.436 HO2' ' HG3' ' B' ' 57' ' ' PRO . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.967 -3.733 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.346 -3.354 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 112.062 3.862 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.293 -3.407 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 100.119 -2.581 . 0.485 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 110.83 2.63 . 0.489 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C5'-C4'-C3' 111.73 -2.514 . 0.829 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C5'-C4'-C3' 110.449 -3.367 . 0.703 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.464 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.508 -3.192 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.464 " H5'" HO2' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.756 -2.944 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 112.267 4.067 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.567 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 99.153 -3.547 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.567 " C5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.951 -3.749 . 0.189 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 111.757 3.557 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.566 HO2' " H5'" ' A' ' 32' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.386 -3.314 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.566 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.953 -3.747 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . 0.415 HO2' " H5'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.246 -3.454 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.415 " H5'" HO2' ' A' ' 33' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.352 -3.348 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.257 -3.443 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.459 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.227 -3.473 . 0.659 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.459 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 111.577 3.377 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.534 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 98.838 -3.862 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.534 " H5'" HO2' ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.753 3.553 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 98.786 -3.914 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.429 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.657 1 C4'-C3'-C2' 98.299 -4.401 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.429 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 112.093 3.893 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.579 0 CA-C-O 120.121 -0.033 . . . . 0.0 112.082 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t 53.48 16.41 0.9 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.019 0.928 . . . . 0.0 113.311 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.37 -5.2 27.51 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 121.674 -0.641 . . . . 0.0 112.991 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -72.3 -4.53 30.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.718 0.759 . . . . 0.0 111.807 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -60.29 153.22 59.78 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 122.602 0.361 . . . . 0.0 110.455 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -75.83 -13.77 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.281 2.654 . . . . 0.0 112.128 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.27 -50.74 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.432 0.293 . . . . 0.0 110.417 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.85 -32.24 70.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.342 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 47.3 mt -58.3 -53.49 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.87 -49.66 72.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.22 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -70.7 -2.04 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -110.61 -26.47 9.43 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 119.141 0.882 . . . . 0.0 110.279 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' B' ' 109' ' ' PHE . 1.3 tt -82.35 -58.02 3.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -145.42 81.48 10.24 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 123.195 0.598 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.39 179.34 5.16 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.238 2.625 . . . . 0.0 110.021 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 54.63 0.8 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.93 -174.87 3.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 110.369 -176.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' B' ' 60' ' ' LYS . 48.2 mtmt -143.74 109.07 5.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.835 0.454 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.458 ' CG ' HG11 ' B' ' 79' ' ' VAL . 50.7 m-85 -86.01 152.95 22.5 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.202 0.525 . . . . 0.0 111.165 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -141.13 113.99 8.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.335 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -68.85 148.42 50.28 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.06 0.544 . . . . 0.0 110.254 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.32 160.33 34.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.892 0.877 . . . . 0.0 110.045 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.7 m -53.09 175.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.979 2.111 . . . . 0.0 115.573 -168.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -113.64 172.39 7.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.226 1.01 . . . . 0.0 112.497 -174.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.7 m -154.33 174.38 14.91 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.617 1.167 . . . . 0.0 110.063 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.41 176.06 44.11 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.751 0.691 . . . . 0.0 113.267 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.44 171.04 12.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.451 0.7 . . . . 0.0 109.965 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.1 m -63.31 -28.9 70.32 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -84.83 -7.61 59.12 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.28 22.24 2.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.824 0.849 . . . . 0.0 110.078 -177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -55.11 153.79 6.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 111.632 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.9 p -141.39 159.65 41.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.203 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 30.6 m-85 -145.19 173.19 12.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.923 1.289 . . . . 0.0 107.714 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.3 OUTLIER -147.01 159.08 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.202 176.103 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.3 mmm -127.46 155.91 42.96 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 91.6 p -132.98 169.23 17.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.2 160.38 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.939 179.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.7 t -132.48 109.76 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.57 137.53 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.06 10.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.07 0.548 . . . . 0.0 112.433 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.86 -11.23 68.1 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.802 0.715 . . . . 0.0 111.406 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.51 169.27 18.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -132.09 144.45 50.74 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.0 167.26 22.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.824 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -147.04 161.98 39.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.909 0.883 . . . . 0.0 109.351 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.63 113.46 0.42 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 77.4 p -86.7 170.59 11.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.198 0.499 . . . . 0.0 110.98 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.43 172.55 44.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -70.58 -22.91 62.52 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.206 0.503 . . . . 0.0 111.522 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -143.33 168.21 20.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.99 0.916 . . . . 0.0 108.787 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -63.9 -30.13 71.25 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -77.23 -40.15 45.94 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.175 0.443 . . . . 0.0 110.624 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.96 -39.24 87.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.599 0.76 . . . . 0.0 109.052 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.56 92.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.834 0.454 . . . . 0.0 110.83 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -64.11 -35.02 79.38 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 122.091 -0.381 . . . . 0.0 110.624 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.37 72.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.311 0.505 . . . . 0.0 110.448 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -74.01 -53.2 10.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.389 0.276 . . . . 0.0 110.658 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.99 85.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.981 0.512 . . . . 0.0 111.117 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.52 70.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.645 0.378 . . . . 0.0 110.794 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.95 -38.5 88.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.041 -0.412 . . . . 0.0 110.058 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -66.01 -43.68 86.99 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 118.094 0.406 . . . . 0.0 110.092 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.28 92.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.768 0.427 . . . . 0.0 110.414 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.71 -65.19 0.73 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.941 0.896 . . . . 0.0 109.9 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.15 21.46 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 88.8 m -93.76 -58.38 2.28 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.731 0.696 . . . . 0.0 111.064 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.49 -27.51 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 122.804 0.442 . . . . 0.0 111.152 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.413 ' CD2' HD13 ' B' ' 55' ' ' LEU . 3.7 m-30 -94.89 -5.68 44.38 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.214 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 58.81 21.95 9.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.554 0.742 . . . . 0.0 112.433 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.59 -167.7 1.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.899 0.88 . . . . 0.0 110.803 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . 0.541 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 32.1 t-80 -130.37 -178.03 4.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.382 0.673 . . . . 0.0 110.135 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.541 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.085 -1.436 . . . . 0.0 110.404 -177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.526 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.526 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 112.054 3.854 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.297 -3.403 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.429 HO2' " H5'" ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.028 -3.672 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.503 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.0 -3.7 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.503 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.43 -3.27 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.08 -3.62 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.583 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.425 -3.275 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.583 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.574 -3.126 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 N19-C1'-C2' 109.107 -2.683 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.484 HO2' " H5'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.477 -3.223 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.484 " H5'" HO2' ' A' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.065 -3.635 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.546 HO2' " H5'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.271 -3.429 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.546 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.475 -3.225 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.432 " H5'" HO2' ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C5'-C4'-O4' 112.921 2.658 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.5 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-C3' 109.26 -4.16 . 0.447 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.5 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.415 -3.285 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.493 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.941 -3.759 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.444 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 98.902 -3.798 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.527 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-O3' 118.078 2.876 OUTLIER-EPSILON 0.439 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.405 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.73 1 P-O3'-C3' 125.508 4.84 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.527 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 112.387 4.187 . 0.37 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 C5'-C4'-C3' 111.554 -2.631 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 111.145 -2.903 . 0.08 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.618 -3.082 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.821 -2.879 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 112.089 3.889 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.12 -3.58 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.499 -3.201 . 0.331 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 99.549 -3.151 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.574 -3.126 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.183 -3.517 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.322 -3.378 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.568 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.159 -3.541 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.568 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.199 -3.501 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 111.859 3.659 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.477 HO2' " H5'" ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.417 -3.283 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.58 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.05 -3.65 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.584 HO2' " H5'" ' A' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.017 -3.683 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.584 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 98.954 -3.746 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.419 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 C4'-C3'-C2' 98.401 -4.299 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 112.054 3.854 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo . . . . . 0 N--CA 1.47 0.122 0 CA-C-O 120.291 0.038 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.0 p -69.38 -7.24 35.71 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.964 0.505 . . . . 0.0 112.005 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.03 177.13 47.38 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.15 178.15 4.01 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.353 0.596 . . . . 0.0 111.211 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.454 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 51.9 m-80 -118.08 167.01 12.16 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 57.3 Cg_endo -69.94 -14.12 35.1 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.817 1.678 . . . . 0.0 110.659 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.76 -49.17 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.148 0.579 . . . . 0.0 109.918 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -71.11 -33.69 70.39 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 119.24 -0.41 . . . . 0.0 111.773 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 56.6 mt -59.56 -54.09 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.16 -50.17 74.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.689 0.796 . . . . 0.0 109.688 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -65.22 -10.28 30.46 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.459 0.704 . . . . 0.0 112.637 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -106.77 -30.18 9.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.508 0.595 . . . . 0.0 111.045 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.418 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.1 tt -79.71 -48.32 13.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.424 -0.173 . . . . 0.0 110.823 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -152.41 80.33 5.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -71.94 -179.69 4.08 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.508 2.806 . . . . 0.0 110.336 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.91 56.08 1.26 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.22 -171.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.826 1.251 . . . . 0.0 109.572 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -143.99 104.24 4.12 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.591 0.356 . . . . 0.0 111.538 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.44 ' CG ' HG13 ' B' ' 79' ' ' VAL . 54.4 m-85 -82.19 150.9 27.15 Favored 'General case' 0 N--CA 1.458 -0.056 0 CA-C-O 121.247 0.546 . . . . 0.0 110.916 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -141.28 112.78 7.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.265 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -68.49 148.4 50.64 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 122.961 0.505 . . . . 0.0 110.141 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.54 159.99 35.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.028 0.931 . . . . 0.0 109.973 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -52.88 174.74 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.968 2.107 . . . . 0.0 115.739 -168.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -119.16 173.5 6.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.328 1.051 . . . . 0.0 112.554 -175.039 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.2 t -160.79 176.33 11.61 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.882 0.873 . . . . 0.0 109.94 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.0 174.75 50.46 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.031 0.824 . . . . 0.0 113.544 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.93 173.86 12.11 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.33 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.0 m -68.84 -9.37 50.99 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -114.0 -3.15 13.37 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.323 0.649 . . . . 0.0 111.578 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.56 17.84 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.37 1.068 . . . . 0.0 109.461 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -55.36 152.05 9.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.405 1.082 . . . . 0.0 111.436 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p -141.38 157.92 44.55 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.414 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 40.5 m-85 -144.11 172.43 12.9 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.202 1.401 . . . . 0.0 107.358 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -147.95 156.98 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 118.198 -1.401 . . . . 0.0 111.26 175.278 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mmm -124.89 155.15 39.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 174.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 93.7 p -132.81 169.05 17.3 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.84 159.51 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.26 109.46 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.6 137.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.25 11.15 0.73 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.462 0.705 . . . . 0.0 112.567 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.28 -10.93 65.5 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 123.901 0.762 . . . . 0.0 111.637 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.0 169.45 17.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.59 143.86 50.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.673 0.389 . . . . 0.0 110.088 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.35 166.75 23.71 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.57 0.348 . . . . 0.0 111.751 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -147.04 162.56 38.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.765 0.826 . . . . 0.0 109.334 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 108.16 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 80.7 p -85.67 166.81 15.87 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 117.291 0.545 . . . . 0.0 110.892 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.77 173.07 43.93 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -72.23 -15.52 61.93 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 117.185 0.492 . . . . 0.0 112.061 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -152.47 166.94 30.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.271 1.028 . . . . 0.0 109.451 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.23 -38.69 87.56 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.6 -43.07 81.38 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 122.533 0.333 . . . . 0.0 110.744 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.76 -40.08 79.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.458 0.703 . . . . 0.0 109.977 -178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.06 93.69 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 111.132 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.15 -35.7 81.92 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.021 -0.425 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.55 71.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.256 0.48 . . . . 0.0 110.46 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -74.91 -51.44 13.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.412 0.285 . . . . 0.0 110.986 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.72 88.59 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.692 0.397 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -36.0 70.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.634 0.373 . . . . 0.0 110.781 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -66.58 -35.71 80.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -68.71 -44.88 72.98 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.68 86.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.901 0.48 . . . . 0.0 110.271 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.53 -65.01 0.76 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.859 . . . . 0.0 109.834 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.87 -12.24 4.22 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -101.08 -58.42 1.89 Allowed 'General case' 0 N--CA 1.458 -0.04 0 CA-C-N 118.797 0.726 . . . . 0.0 111.195 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.8 t -66.22 -27.88 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.498 0.319 . . . . 0.0 111.364 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -92.75 -5.21 51.7 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.379 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 58.67 20.4 7.72 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.544 0.738 . . . . 0.0 112.23 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.66 -164.22 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.489 1.116 . . . . 0.0 110.179 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -138.47 162.16 35.2 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.477 179.286 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.526 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.376 -3.324 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.526 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.676 3.476 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 99.281 -3.419 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.307 -3.393 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.5 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.242 -3.458 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.592 HO2' " H5'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.274 -3.426 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.592 " H5'" HO2' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.234 -3.466 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.54 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.382 -3.318 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.54 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.332 -3.368 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.41 HO2' " H5'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.664 -3.036 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.463 HO2' " H5'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.401 -3.299 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.581 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 98.808 -3.892 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.581 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.26 -3.44 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.407 -3.293 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.719 -2.981 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.417 -3.283 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.402 HO2' " H5'" ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.398 -3.302 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.402 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.307 -3.393 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 1 O4'-C1'-N19 112.278 4.078 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.137 -3.563 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.696 2.496 . 0.428 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 110.758 2.558 . 0.464 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 O4'-C1'-N19 110.767 2.567 . 0.815 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 C5'-C4'-C3' 110.712 -3.192 . 0.715 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.42 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.397 -3.303 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.42 " H5'" HO2' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.625 -3.075 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.929 3.729 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 1 C5'-C4'-C3' 109.348 -4.101 . 0.42 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.604 -3.096 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C4'-C3'-C2' 99.284 -3.416 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.579 HO2' " H5'" ' A' ' 32' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.665 -3.035 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.579 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.077 -3.623 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.371 -3.329 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.559 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C4'-C3'-C2' 99.229 -3.471 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.559 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.073 -3.627 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.427 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.232 -3.468 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.427 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.122 2.922 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 1 C5'-C4'-C3' 109.373 -4.085 . 0.797 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.016 -3.684 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 98.928 -3.772 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.418 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.707 1 C4'-C3'-C2' 98.551 -4.149 . 0.814 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 O4'-C1'-N19 111.967 3.767 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.434 0 CA-C-O 120.523 0.135 . . . . 0.0 112.157 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -141.7 6.0 1.81 Allowed 'General case' 0 C--O 1.231 0.094 0 C-N-CA 122.977 0.511 . . . . 0.0 111.457 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.23 -170.24 40.8 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -63.08 173.12 1.51 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.705 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.444 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 14.4 m120 -130.31 166.82 23.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 60.5 Cg_endo -71.9 -11.79 27.86 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.265 1.977 . . . . 0.0 110.746 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.04 -47.93 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.236 0.614 . . . . 0.0 110.052 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 9.0 mmt -69.98 -54.15 14.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.582 0.353 . . . . 0.0 111.638 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.43 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 13.8 pt -56.64 -29.67 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.466 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -69.37 -54.55 13.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -68.17 8.0 0.49 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.097 1.359 . . . . 0.0 112.719 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.13 -35.56 3.44 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 9.8 mt -63.66 -57.87 8.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.018 0.927 . . . . 0.0 109.558 174.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -157.55 95.06 2.08 Favored Pre-proline 0 N--CA 1.452 -0.351 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -72.34 176.87 8.03 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.185 2.59 . . . . 0.0 110.201 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.46 61.89 0.69 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -177.16 4.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.125 0.97 . . . . 0.0 110.42 -178.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 39.8 mtmt -140.92 104.65 4.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.458 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.4 m-85 -83.15 152.99 25.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.252 0.549 . . . . 0.0 110.646 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.07 112.13 7.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.956 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -68.64 147.72 51.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.858 0.463 . . . . 0.0 110.152 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.57 159.83 35.14 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.82 0.848 . . . . 0.0 109.706 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.7 p -53.82 175.38 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.504 1.922 . . . . 0.0 115.49 -168.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.39 173.04 7.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.898 0.879 . . . . 0.0 112.277 -174.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.0 p -160.76 175.57 12.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 110.607 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.96 173.0 48.69 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 123.874 0.75 . . . . 0.0 112.923 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -78.47 175.29 10.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.477 0.711 . . . . 0.0 110.257 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m -64.83 -33.14 75.3 Favored 'General case' 0 CA--C 1.527 0.07 0 O-C-N 121.925 -0.484 . . . . 0.0 112.245 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -84.79 -4.48 59.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.308 0.643 . . . . 0.0 112.453 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 19.99 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.265 0.626 . . . . 0.0 110.664 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -55.36 147.37 17.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.679 0.792 . . . . 0.0 111.186 -174.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m -140.6 158.58 43.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.162 0.585 . . . . 0.0 109.962 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -142.9 174.78 10.36 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.036 1.335 . . . . 0.0 107.965 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.34 158.64 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 118.464 -1.294 . . . . 0.0 111.512 174.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.7 mmm -127.48 157.04 41.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.0 p -134.0 168.98 17.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 168.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.05 161.95 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.07 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.34 109.42 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 171.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.19 127.62 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.19 8.44 0.56 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.052 0.941 . . . . 0.0 112.916 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 -12.49 37.98 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.167 0.889 . . . . 0.0 111.84 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.73 173.29 12.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -133.39 145.36 50.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -141.25 166.59 24.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.524 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -145.92 161.74 39.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.677 0.791 . . . . 0.0 109.37 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.88 107.23 0.23 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.2 p -83.64 166.94 17.73 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.413 0.607 . . . . 0.0 110.716 175.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.55 172.11 42.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.29 -22.71 63.78 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 117.178 0.489 . . . . 0.0 111.637 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -145.79 172.35 13.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.67 -41.03 94.26 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -71.85 -41.25 68.32 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 122.983 0.513 . . . . 0.0 111.374 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.71 -40.11 88.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.971 0.508 . . . . 0.0 109.741 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.35 93.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.627 0.371 . . . . 0.0 110.784 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.42 -36.94 85.8 Favored 'General case' 0 C--O 1.226 -0.171 0 O-C-N 122.159 -0.338 . . . . 0.0 110.46 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.99 0.359 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.64 -51.75 10.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.188 0.195 . . . . 0.0 110.595 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.16 86.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.543 0.337 . . . . 0.0 110.815 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.8 65.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.865 0.466 . . . . 0.0 110.742 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -69.41 -41.0 76.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.0 m -65.72 -42.81 90.62 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.79 78.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.588 0.355 . . . . 0.0 110.332 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.82 -49.76 67.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.438 -0.164 . . . . 0.0 110.588 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -18.22 40.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.0 m -103.47 -52.51 2.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.17 0.441 . . . . 0.0 111.807 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.6 -16.56 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 81.0 m-85 -118.88 -3.22 10.75 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.92 19.1 5.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.296 0.638 . . . . 0.0 112.067 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.1 mt -121.62 97.63 5.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.286 1.034 . . . . 0.0 109.452 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.21 151.67 26.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.823 -178.42 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.748 -2.952 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.451 HO2' " H5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.667 3.467 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.451 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.283 -3.417 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.397 -3.303 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 1 C5'-C4'-C3' 109.146 -4.236 . 0.807 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.48 -3.22 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.545 HO2' " H5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.174 -3.526 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.569 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.289 -3.411 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.569 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.162 -3.538 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.761 -2.939 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.502 -3.198 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.904 -3.796 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.249 -3.451 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.476 HO2' " H5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.239 -3.461 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.581 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.944 -2.756 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.581 " H5'" HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.554 -3.146 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.499 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.114 -3.586 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.428 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.149 -3.551 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.405 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.672 1 O4'-C1'-N19 112.257 4.057 . 0.838 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.267 -3.433 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.771 2.571 . 0.521 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 110.645 2.445 . 0.519 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C5'-C4'-C3' 111.611 -2.593 . 0.821 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-C3' 110.817 -3.122 . 0.691 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.377 -3.323 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.435 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.492 -3.208 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.435 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 112.111 3.911 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.545 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.729 -2.971 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.725 HO2' " H5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.818 -3.882 . 0.443 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.725 " H5'" HO2' ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 111.834 3.634 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.585 HO2' " H5'" ' A' ' 32' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.011 -3.689 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.585 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.794 3.594 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.347 -3.353 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.573 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C4'-C3'-C2' 99.059 -3.641 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.596 HO2' " H5'" ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 98.996 -3.704 . 0.656 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.596 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.256 -3.444 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.466 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.111 2.911 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 C5'-C4'-C3' 109.228 -4.181 . 0.83 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.55 HO2' " H5'" ' A' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 98.871 -3.829 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.55 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 98.856 -3.844 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.429 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.712 1 C4'-C3'-C2' 98.503 -4.197 . 0.824 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.429 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 O4'-C1'-N19 112.071 3.871 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.487 0 CA-C-O 120.31 0.046 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.1 m -69.81 -5.48 25.85 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.263 0.625 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.31 -4.65 86.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 123.275 0.464 . . . . 0.0 112.434 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.52 -0.96 22.07 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 117.729 0.765 . . . . 0.0 111.891 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -54.03 110.8 2.29 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 122.897 0.479 . . . . 0.0 109.862 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.416 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.4 Cg_endo -76.94 -13.36 17.53 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 123.862 3.041 . . . . 0.0 111.732 -169.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.8 -47.68 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.1 tpp -72.53 -46.29 55.27 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.904 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 5.7 pt -61.3 -37.58 77.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.125 0 CA-C-N 118.891 0.769 . . . . 0.0 111.088 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.69 -50.26 74.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.48 -9.13 31.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.45 1.1 . . . . 0.0 113.163 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.95 -17.37 14.21 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.508 0.594 . . . . 0.0 111.331 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.46 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -97.75 -44.36 6.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -155.53 79.63 4.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.4 177.28 6.19 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.371 2.714 . . . . 0.0 110.542 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.13 59.49 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.88 -175.98 4.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.151 0.981 . . . . 0.0 110.365 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -138.24 149.28 45.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.427 ' CG ' HG13 ' B' ' 79' ' ' VAL . 36.5 m-85 -126.79 153.59 45.39 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -140.7 112.8 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.335 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.44 148.06 51.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.772 0.429 . . . . 0.0 110.028 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -130.37 160.34 34.28 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.72 0.808 . . . . 0.0 109.97 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -51.87 174.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 127.073 2.149 . . . . 0.0 115.656 -168.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.0 174.98 5.89 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.122 0.969 . . . . 0.0 112.462 -174.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.58 173.88 16.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.99 0.916 . . . . 0.0 110.015 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.63 52.15 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 123.166 0.412 . . . . 0.0 112.4 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -100.61 174.95 5.84 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.938 0.895 . . . . 0.0 110.185 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -0.54 0.64 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -119.6 -0.07 10.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.779 0.718 . . . . 0.0 111.546 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.35 15.44 1.3 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.104 0.962 . . . . 0.0 110.11 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -55.22 146.84 17.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.538 1.135 . . . . 0.0 112.017 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -142.25 159.2 42.69 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.383 0.673 . . . . 0.0 109.917 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.414 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 28.5 m-85 -143.61 174.0 11.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.156 1.383 . . . . 0.0 108.197 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -147.32 159.26 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.349 175.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.8 mmm -127.32 157.4 40.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.784 1.234 . . . . 0.0 108.133 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -134.18 170.3 15.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 168.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.427 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.5 t -147.69 164.89 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.14 108.9 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.2 125.64 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.782 -174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 7.4 t70 60.69 5.32 0.9 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.192 0.997 . . . . 0.0 112.821 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.73 -13.0 29.89 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.218 0.913 . . . . 0.0 111.675 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.81 173.63 12.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -133.36 145.85 50.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.79 166.99 23.22 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.599 0.36 . . . . 0.0 111.538 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.34 161.0 41.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.611 0.765 . . . . 0.0 109.731 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.09 116.65 0.58 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.3 p -93.39 167.89 11.43 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 117.173 0.486 . . . . 0.0 111.219 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.3 170.77 43.94 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.38 -16.39 62.96 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -147.75 169.53 19.54 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -66.82 -25.88 66.66 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -175.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.6 -49.25 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.633 0.652 . . . . 0.0 110.259 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.33 -39.03 93.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.985 0.914 . . . . 0.0 109.628 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.25 74.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.746 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -64.13 -34.63 78.5 Favored 'General case' 0 C--O 1.225 -0.213 0 O-C-N 122.037 -0.414 . . . . 0.0 110.508 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.63 74.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.299 0.499 . . . . 0.0 110.444 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -75.12 -47.42 28.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.531 0.332 . . . . 0.0 110.779 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.823 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.86 68.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.223 0.609 . . . . 0.0 110.693 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -66.36 -38.23 87.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -67.18 -43.99 80.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.375 0.27 . . . . 0.0 110.484 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.88 -60.39 3.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.528 0.731 . . . . 0.0 109.869 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.1 19.0 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 98.2 m -99.86 -53.33 3.19 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 118.536 0.607 . . . . 0.0 111.866 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.47 -31.99 55.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 118.114 0.416 . . . . 0.0 111.195 -176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -90.59 -9.83 45.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.097 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 57.65 19.4 5.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.359 0.663 . . . . 0.0 111.64 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.4 109.09 10.79 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 124.548 1.139 . . . . 0.0 109.619 -177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.81 159.72 15.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.647 -1.168 . . . . 0.0 111.157 179.723 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.398 -3.302 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.406 HO2' " H5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.766 3.566 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.535 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C4'-C3'-C2' 99.249 -3.451 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.535 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 98.879 -3.821 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 N19-C1'-C2' 108.595 -3.003 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.05 -3.65 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.057 -3.643 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.597 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.09 -3.61 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.597 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.465 -3.235 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.709 -2.991 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.48 HO2' " H5'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.261 -3.439 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.556 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 98.856 -3.844 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.556 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.583 -3.117 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 100.0 -2.7 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.619 -3.081 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.532 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.307 -3.393 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.532 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.158 -3.542 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.458 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.273 -3.427 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.4 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 112.114 3.914 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.28 -3.42 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 110.677 2.477 . 0.534 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 110.651 2.451 . 0.518 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C5'-C4'-C3' 111.749 -2.501 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C5'-C4'-C3' 110.795 -3.137 . 0.696 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.447 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.455 -3.245 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.466 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.517 -3.183 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.47 HO2' " H5'" ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.821 3.621 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.47 " H5'" HO2' ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.775 -3.925 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.521 HO2' " H5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.497 1 C5'-C4'-C3' 109.231 -4.18 . 0.263 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.659 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.567 -3.133 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.659 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.597 -3.103 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.591 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.889 3.689 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.345 -3.355 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.568 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.089 -3.611 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.568 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.215 -3.485 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.442 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.198 -3.502 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.442 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 O4'-C1'-N19 111.167 2.967 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 C5'-C4'-C3' 109.479 -4.014 . 0.872 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.148 -3.552 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 98.825 -3.875 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.418 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 C4'-C3'-C2' 98.365 -4.335 . 0.811 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.418 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 112.106 3.906 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo . . . . . 0 CA--C 1.53 0.277 0 N-CA-C 112.352 0.097 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.0 p -144.18 179.52 7.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 110.019 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.27 179.78 19.82 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.96 -1.68 10.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 0.0 112.051 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -142.77 163.85 35.99 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 123.729 0.811 . . . . 0.0 110.274 -177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.06 -12.37 25.8 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.953 2.435 . . . . 0.0 111.231 174.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.39 -54.56 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.714 0.806 . . . . 0.0 110.332 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.7 ttm -69.44 -30.32 68.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.017 0.376 . . . . 0.0 112.017 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 52.8 mt -58.98 -52.73 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.74 -49.54 74.92 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.329 1.052 . . . . 0.0 109.657 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -68.67 -5.83 22.52 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -103.94 -37.29 7.45 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.04 0.836 . . . . 0.0 110.23 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.5 tt -73.31 -49.36 27.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.419 0.288 . . . . 0.0 110.891 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -153.65 78.21 5.65 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.7 174.24 10.62 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.113 2.542 . . . . 0.0 110.017 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.19 51.73 0.81 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.05 -177.85 4.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.998 0.919 . . . . 0.0 110.801 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -140.95 105.45 4.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.477 ' CG ' HG11 ' B' ' 79' ' ' VAL . 50.7 m-85 -84.41 154.95 22.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.265 0.555 . . . . 0.0 110.821 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.12 161.28 37.19 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.531 170.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -118.7 139.09 52.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.94 158.94 29.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.38 0.672 . . . . 0.0 109.957 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -54.35 172.05 0.1 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 126.021 1.728 . . . . 0.0 115.463 -167.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.87 175.88 5.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 112.425 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -149.53 169.07 21.78 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.245 1.018 . . . . 0.0 109.069 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.92 174.18 46.73 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.28 75.38 1.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.992 0.517 . . . . 0.0 110.762 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 44.5 m 63.72 -0.36 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.972 1.309 . . . . 0.0 113.208 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -138.09 151.06 47.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 47.92 20.19 0.22 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.85 0.46 . . . . 0.0 111.701 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -57.87 147.74 27.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 110.395 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 83.5 p -145.25 158.98 43.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -144.36 170.59 15.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.342 1.457 . . . . 0.0 107.525 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.13 157.54 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 118.378 -1.329 . . . . 0.0 111.537 175.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mmm -126.31 156.71 39.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.857 1.263 . . . . 0.0 107.867 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -130.86 170.41 14.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.4 161.92 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.217 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.49 110.23 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.18 127.01 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.681 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t70 57.1 8.94 0.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.882 0.873 . . . . 0.0 112.894 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.56 -12.67 39.26 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.12 0.867 . . . . 0.0 111.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.29 172.78 13.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -133.75 144.68 49.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.93 166.36 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.686 0.395 . . . . 0.0 111.545 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.42 162.62 37.84 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.572 0.749 . . . . 0.0 109.422 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.86 110.71 0.32 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 82.2 p -90.38 166.04 13.51 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.194 0.497 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.68 171.68 43.84 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -73.8 -13.19 60.9 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 117.337 0.568 . . . . 0.0 112.504 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -147.86 170.26 18.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.731 0.813 . . . . 0.0 109.359 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.9 -32.77 74.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -67.63 -51.61 47.98 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 123.568 0.747 . . . . 0.0 110.724 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.47 -39.5 94.62 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.428 1.091 . . . . 0.0 109.671 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.38 85.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.936 0.494 . . . . 0.0 111.109 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -65.39 -40.37 93.38 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 122.034 -0.416 . . . . 0.0 110.52 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.12 71.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.045 0.384 . . . . 0.0 110.591 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.6 -54.15 8.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.767 0.427 . . . . 0.0 110.758 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.22 77.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.592 0.357 . . . . 0.0 110.984 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.73 71.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.134 0.574 . . . . 0.0 110.529 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.55 -36.56 84.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -66.14 -45.92 79.32 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.087 0.403 . . . . 0.0 110.058 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.43 89.15 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.404 0.281 . . . . 0.0 110.531 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.18 -65.8 0.63 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 109.626 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.34 -11.41 4.18 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -100.92 -58.39 1.9 Allowed 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.744 0.702 . . . . 0.0 111.063 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.54 -29.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.663 0.211 . . . . 0.0 111.107 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -89.86 -5.37 56.9 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.448 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 58.27 20.21 6.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.408 0.683 . . . . 0.0 112.343 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.3 -164.94 1.22 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.51 1.124 . . . . 0.0 110.096 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -137.69 161.83 35.46 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.276 -1.345 . . . . 0.0 110.528 179.3 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.523 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.296 -3.404 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.523 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 111.963 3.763 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.427 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.162 -3.538 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.408 HO2' " H5'" ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 98.848 -3.852 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.408 " H5'" HO2' ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.367 -3.333 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.16 -3.54 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.498 HO2' " H5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.417 -3.283 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.553 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.431 -3.269 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.553 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.306 -3.394 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.896 -2.804 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.665 -3.035 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 98.993 -3.707 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.507 HO2' " H5'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.388 -3.312 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.507 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.401 -3.299 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.438 -3.262 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.534 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.606 -3.094 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.534 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.266 -3.434 . 0.87 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.477 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C4'-C3'-C2' 98.981 -3.719 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.46 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.685 1 O4'-C1'-N19 112.333 4.133 . 0.81 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.202 -3.498 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.671 2.471 . 0.446 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 110.694 2.494 . 0.475 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C5'-C4'-C3' 111.424 -2.717 . 0.83 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 111.151 -2.899 . 0.704 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.478 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.178 -3.522 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.506 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.464 -3.236 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.506 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 111.836 3.636 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.121 -3.579 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.916 -3.784 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.648 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.151 -3.549 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.648 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.402 -3.298 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.602 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.065 -3.635 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . 0.401 " H5'" HO2' ' A' ' 32' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.499 -3.201 . 0.863 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.309 -3.391 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.13 -3.57 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.702 3.502 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 O4'-C1'-N19 111.264 3.064 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.458 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 108.835 -4.443 . 0.659 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.543 HO2' " H5'" ' A' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C4'-C3'-C2' 99.019 -3.681 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.543 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.276 -3.424 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.424 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 C4'-C3'-C2' 98.33 -4.37 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.424 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 112.164 3.964 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.171 0 N-CA-C 112.693 0.228 . . . . 0.0 112.693 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 p -71.07 170.79 12.12 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.925 0.49 . . . . 0.0 111.042 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.8 5.47 57.25 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.687 -0.507 . . . . 0.0 113.191 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.49 -13.98 62.53 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 112.389 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.479 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 82.6 m-20 -135.52 166.35 29.36 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 123.703 0.801 . . . . 0.0 109.779 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 81.2 Cg_endo -75.74 -7.47 18.51 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.377 2.718 . . . . 0.0 110.633 -177.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.57 -49.97 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.466 0.706 . . . . 0.0 110.673 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.414 ' SD ' " H1'" ' A' ' 29' ' ' ' C' . 34.8 mtp -74.64 -41.44 60.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.922 -175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.415 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.5 -33.58 51.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.49 -57.51 9.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -64.0 -0.44 1.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.954 1.302 . . . . 0.0 113.796 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -120.99 -14.61 8.42 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.894 0.77 . . . . 0.0 111.876 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.425 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -93.44 -51.26 5.05 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -153.81 81.95 4.66 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.98 174.38 8.92 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.947 2.431 . . . . 0.0 109.499 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.04 49.32 0.3 Allowed Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 81' ' ' VAL . 0.4 OUTLIER -128.96 -177.8 4.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.648 0.779 . . . . 0.0 109.67 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 52.4 mtmt -147.04 99.89 3.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.333 0.653 . . . . 0.0 110.126 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.411 ' CE1' HD23 ' B' ' 59' ' ' LEU . 73.6 m-85 -77.69 154.25 32.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.674 0.75 . . . . 0.0 111.886 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -137.14 163.81 29.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.071 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -122.57 137.93 54.74 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.05 158.5 29.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.391 0.676 . . . . 0.0 110.121 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.5 m -54.53 170.62 0.15 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.746 1.618 . . . . 0.0 115.177 -166.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.22 174.19 6.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.971 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -157.6 173.49 16.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.507 0.723 . . . . 0.0 110.203 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.56 175.71 50.46 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.68 0.657 . . . . 0.0 112.727 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.44 174.79 9.78 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.523 0.729 . . . . 0.0 110.506 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m -65.07 -5.97 7.75 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -118.36 0.56 11.69 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.5 0.72 . . . . 0.0 111.646 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.68 16.84 2.17 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.301 1.04 . . . . 0.0 109.599 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -58.07 150.97 19.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.743 1.217 . . . . 0.0 112.179 -172.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -142.37 157.38 44.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.16 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -142.26 169.92 16.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.869 1.268 . . . . 0.0 107.736 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.24 157.09 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 118.341 -1.344 . . . . 0.0 111.067 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.42 154.73 43.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.833 1.253 . . . . 0.0 107.705 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.0 p -129.63 169.98 14.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.3 t -145.39 153.1 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.45 99.02 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.579 HG11 ' H ' ' B' ' 82' ' ' ASP . 3.2 t -77.16 -133.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.158 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . 0.579 ' H ' HG11 ' B' ' 81' ' ' VAL . 38.8 t70 -49.79 -5.37 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.328 2.251 . . . . 0.0 113.417 172.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' B' ' 81' ' ' VAL . . . 141.08 -14.55 2.81 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.291 0.948 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.94 165.41 23.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -125.67 143.86 50.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.724 0.409 . . . . 0.0 110.097 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -141.68 165.74 26.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.08 162.51 39.24 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.182 0.593 . . . . 0.0 109.866 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.72 116.29 0.58 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -98.78 160.55 14.19 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.264 0.532 . . . . 0.0 110.25 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.95 169.04 41.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ptm85 -70.3 -14.4 62.57 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.17 166.94 23.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.631 0.772 . . . . 0.0 108.932 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.12 -27.53 67.4 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -70.44 -50.83 34.2 Favored 'General case' 0 C--N 1.337 0.054 0 CA-C-N 118.176 0.444 . . . . 0.0 110.506 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.97 -39.83 95.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.482 1.113 . . . . 0.0 109.709 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.6 79.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.821 0.448 . . . . 0.0 110.844 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.36 -39.48 89.18 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 122.167 -0.333 . . . . 0.0 110.728 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.61 73.55 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.266 0.485 . . . . 0.0 110.796 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -71.38 -49.97 36.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.093 0.557 . . . . 0.0 110.928 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.4 72.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.708 0.403 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.71 -39.57 66.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.142 0.577 . . . . 0.0 110.791 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -62.35 -37.66 86.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 63.9 m -68.5 -44.37 74.83 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.92 88.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.961 0.504 . . . . 0.0 110.879 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -63.6 -69.99 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.578 0.751 . . . . 0.0 109.757 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.85 -48.43 21.0 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.7 m -67.77 -58.18 5.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.95 -29.07 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 118.089 0.404 . . . . 0.0 111.397 -175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.4 m-30 -87.65 -5.22 58.81 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.99 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.41 25.14 12.55 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.67 0.788 . . . . 0.0 111.978 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -127.19 -167.34 1.72 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.208 1.003 . . . . 0.0 110.581 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . 0.504 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -134.0 -179.53 5.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.347 0.659 . . . . 0.0 109.859 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.504 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 23.8 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.217 -1.373 . . . . 0.0 110.507 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.663 -3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.442 HO2' " H5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.718 3.518 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.569 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C4'-C3'-C2' 99.171 -3.529 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.569 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.286 -3.414 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 1 C5'-C4'-C3' 109.408 -4.062 . 0.829 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.778 -2.922 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.331 -3.369 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.431 -3.269 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.503 -3.197 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.844 -2.856 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.641 -3.059 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.542 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.045 -3.655 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.542 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.375 -3.325 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.494 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.588 -3.112 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.549 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.721 -2.979 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.549 " H5'" HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.257 -3.443 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.524 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.303 -3.397 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.423 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.048 -3.652 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 O4'-C1'-N19 112.145 3.945 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.241 -3.459 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 110.694 2.494 . 0.433 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 110.599 2.399 . 0.469 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C5'-C4'-C3' 111.399 -2.734 . 0.833 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C5'-C4'-C3' 111.114 -2.924 . 0.706 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.485 -3.215 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.47 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.542 -3.158 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.47 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.897 3.697 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.533 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.558 -3.142 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.533 " C5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 98.722 -3.978 . 0.576 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.424 " H2'" ' C8 ' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.498 3.298 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.424 ' C8 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.75 -2.95 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.749 3.549 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.246 -3.454 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.56 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C4'-C3'-C2' 99.08 -3.62 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.57 HO2' " H5'" ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.144 -3.556 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.57 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.615 3.415 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.005 2.805 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 C5'-C4'-C3' 108.764 -4.49 . 0.858 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.538 HO2' " H5'" ' A' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 98.932 -3.768 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.538 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 98.979 -3.721 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 1 C4'-C3'-C2' 98.453 -4.247 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.969 3.769 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.369 0 CA-C-O 120.471 0.113 . . . . 0.0 112.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -67.9 177.1 2.26 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.255 0.622 . . . . 0.0 111.128 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.14 -6.32 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.244 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -137.03 1.35 2.47 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.585 0.693 . . . . 0.0 111.671 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.23 130.73 91.8 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 122.711 0.404 . . . . 0.0 110.537 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.36 -11.82 11.74 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.185 3.256 . . . . 0.0 113.608 -171.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -49.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 118.392 0.542 . . . . 0.0 111.108 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -38.82 87.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.94 0.336 . . . . 0.0 111.347 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 48.7 mt -55.45 -51.42 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.51 -41.33 96.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 122.995 0.518 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.45 -2.47 3.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.861 0.464 . . . . 0.0 111.176 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -120.96 -14.68 8.41 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.21 -0.306 . . . . 0.0 110.44 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.674 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.5 OUTLIER -89.22 -37.18 15.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -165.91 86.87 0.93 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 123.876 0.87 . . . . 0.0 109.829 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -73.99 0.79 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.871 3.047 . . . . 0.0 113.769 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 67.83 3.51 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 118.375 0.534 . . . . 0.0 112.309 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.7 -174.87 4.09 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.288 0.635 . . . . 0.0 111.432 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -145.04 111.32 5.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.845 0.858 . . . . 0.0 110.342 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.459 ' CG ' HG13 ' B' ' 79' ' ' VAL . 44.5 m-85 -85.52 154.25 21.89 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 121.301 0.572 . . . . 0.0 111.08 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.58 111.27 6.56 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.996 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.4 147.79 51.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.875 0.47 . . . . 0.0 110.025 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.34 157.85 40.75 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.554 0.742 . . . . 0.0 110.191 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -52.74 173.79 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.904 2.081 . . . . 0.0 115.619 -168.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 174.03 6.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.51 1.124 . . . . 0.0 112.161 -175.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.4 t -157.37 175.07 14.48 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.616 0.766 . . . . 0.0 110.065 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.95 176.46 43.7 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.872 0.748 . . . . 0.0 113.014 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.49 172.45 13.49 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.26 0.624 . . . . 0.0 110.229 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -66.58 -11.64 54.09 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -109.26 -1.26 18.72 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.162 0.585 . . . . 0.0 111.774 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.73 19.53 2.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.375 1.07 . . . . 0.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -56.77 155.31 7.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.844 1.258 . . . . 0.0 112.182 -171.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 79.8 p -142.62 159.51 42.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.204 0.602 . . . . 0.0 109.951 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.466 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 46.3 m-85 -146.4 170.4 16.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.935 1.294 . . . . 0.0 108.079 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.56 157.13 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.026 175.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.8 mmm -125.34 155.3 40.49 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -133.87 169.34 17.22 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.459 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -145.89 158.4 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.648 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -130.94 111.3 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -136.08 137.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.21 11.29 0.75 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.26 0.624 . . . . 0.0 112.628 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.36 -11.37 68.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.723 0.678 . . . . 0.0 111.423 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.13 170.6 16.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -133.1 143.94 49.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -138.34 166.16 24.94 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.617 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -147.09 162.93 37.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 109.444 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.29 107.87 0.25 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.1 p -90.37 164.92 14.13 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.34 0.57 . . . . 0.0 110.922 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.67 171.32 42.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -75.81 -9.63 58.76 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 117.523 0.661 . . . . 0.0 111.933 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.6 160.32 43.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.625 1.17 . . . . 0.0 109.024 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.99 -30.86 71.09 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.455 ' HE3' ' OP1' ' A' ' 30' ' ' ' C' . 86.3 tttt -66.75 -45.81 77.39 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.056 0.543 . . . . 0.0 110.379 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.25 -39.6 82.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.04 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.3 0.64 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -65.42 -38.62 90.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 122.123 -0.361 . . . . 0.0 110.771 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.74 73.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.24 0.473 . . . . 0.0 110.755 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.28 -51.95 18.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.241 0.616 . . . . 0.0 111.061 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.1 79.53 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.676 0.39 . . . . 0.0 111.031 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.97 70.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.99 0.516 . . . . 0.0 110.873 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -65.66 -36.47 83.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.95 -0.469 . . . . 0.0 110.009 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -65.97 -43.35 88.12 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.34 71.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' B' ' 109' ' ' PHE . 1.6 tm? -70.56 -62.6 1.33 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.25 -10.85 17.56 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -174.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.6 m -101.45 -62.93 1.19 Allowed 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.95 0.795 . . . . 0.0 111.955 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.19 -31.53 51.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.031 0 C-N-CA 122.551 0.34 . . . . 0.0 111.715 -173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.674 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 18.9 m-85 -90.58 -4.61 56.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.778 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.84 18.96 6.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.535 0.734 . . . . 0.0 111.928 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.03 -162.78 0.92 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.381 1.073 . . . . 0.0 110.307 -177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -134.26 161.37 35.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.408 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.331 -3.369 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.771 3.571 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.411 -3.289 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.467 -3.233 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C5'-C4'-C3' 109.934 -3.711 . 0.785 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.721 -2.979 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.558 HO2' " H5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.846 -3.854 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.584 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.356 -3.344 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.584 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.582 -3.118 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.425 HO2' " H5'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.791 -2.909 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.469 HO2' " H5'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.416 -3.284 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.572 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.903 -3.797 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.572 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.334 -3.366 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.459 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.477 -3.223 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.474 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.972 -2.728 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.565 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.123 -3.577 . 0.482 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.565 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.105 -3.595 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.053 -3.647 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 98.736 -3.964 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.975 -3.725 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 C5'-C4'-C3' 108.985 -4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 1 O4'-C1'-N19 112.351 4.151 . 0.313 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 C5'-C4'-C3' 111.684 -2.544 . 0.875 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C5'-C4'-C3' 111.155 -2.896 . 0.697 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.5 -3.2 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.452 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.392 -3.308 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.452 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 112.148 3.948 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.57 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.36 -3.34 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.57 " C5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C4'-C3'-C2' 99.409 -3.291 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.455 ' OP1' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C4'-C3'-C2' 99.239 -3.461 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.555 HO2' " H5'" ' A' ' 32' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.179 -3.521 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.555 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.013 -3.687 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.228 -3.472 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.261 -3.439 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.288 -3.412 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.461 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.123 -3.577 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.461 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.419 -3.281 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.411 -3.289 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.502 HO2' " H5'" ' A' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.05 -3.65 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.502 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.103 -3.597 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.42 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 C4'-C3'-C2' 98.381 -4.319 . 0.826 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.42 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 111.983 3.783 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo . . . . . 0 N--CA 1.478 0.603 0 N-CA-C 112.249 0.057 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -66.74 174.31 2.98 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.004 0.522 . . . . 0.0 111.293 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.21 -179.45 45.77 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -142.68 167.03 23.04 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.633 0.773 . . . . 0.0 109.43 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -60.81 153.53 63.52 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.24 -13.01 19.07 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.169 2.58 . . . . 0.0 111.879 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.81 -53.44 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 122.275 0.23 . . . . 0.0 110.549 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 tpp -73.85 -39.63 63.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.728 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 pt -61.18 -38.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.242 0.928 . . . . 0.0 110.677 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.87 -51.97 67.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.6 -4.06 7.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.146 0.978 . . . . 0.0 113.024 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -108.18 -18.77 13.69 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.01 0.524 . . . . 0.0 111.027 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -101.02 -36.59 8.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.367 0.267 . . . . 0.0 110.592 -175.54 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -157.46 79.48 3.47 Favored Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 122.392 0.277 . . . . 0.0 110.725 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.73 179.31 5.36 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.201 2.6 . . . . 0.0 109.495 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.97 46.36 2.26 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 -173.23 2.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.506 1.122 . . . . 0.0 109.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -143.1 105.46 4.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.366 0.266 . . . . 0.0 111.462 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CG ' HG12 ' B' ' 79' ' ' VAL . 47.0 m-85 -81.94 152.67 26.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.283 0.563 . . . . 0.0 110.801 174.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.6 111.84 6.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.964 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.27 148.28 51.01 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.942 0.497 . . . . 0.0 109.927 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.96 158.47 39.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.586 0.755 . . . . 0.0 110.217 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -52.14 173.93 0.03 OUTLIER 'General case' 0 C--N 1.338 0.109 0 C-N-CA 127.206 2.203 . . . . 0.0 115.391 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 173.14 11.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.052 0.941 . . . . 0.0 112.591 -174.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 76.1 p -158.89 168.77 25.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.675 1.19 . . . . 0.0 108.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 -175.04 20.23 Favored Glycine 0 CA--C 1.526 0.722 0 CA-C-O 121.059 0.255 . . . . 0.0 112.536 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -124.2 20.38 8.96 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.457 1.103 . . . . 0.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.0 m 78.75 -1.99 2.35 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.179 1.792 . . . . 0.0 113.093 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -126.36 -0.59 6.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.031 0.532 . . . . 0.0 110.559 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.3 13.87 2.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.332 1.453 . . . . 0.0 109.347 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -54.26 138.97 37.62 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.588 1.155 . . . . 0.0 111.143 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.27 159.11 42.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.022 0.529 . . . . 0.0 110.066 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.443 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 24.0 m-85 -141.58 173.3 11.63 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.059 1.344 . . . . 0.0 108.412 -177.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.43 158.63 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 118.437 -1.305 . . . . 0.0 111.459 175.189 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.3 mmm -126.6 156.08 41.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.719 1.207 . . . . 0.0 107.95 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -134.86 169.78 16.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.436 HG12 ' CG ' ' B' ' 61' ' ' TYR . 1.4 t -146.54 158.25 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.07 109.66 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 137.6 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.0 11.66 1.03 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.17 0.588 . . . . 0.0 112.459 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.46 -11.08 68.99 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.776 0.703 . . . . 0.0 111.371 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.83 169.29 18.13 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.94 144.4 50.81 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -139.92 166.03 25.73 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.629 0.372 . . . . 0.0 111.451 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -147.9 162.21 39.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.511 0.724 . . . . 0.0 109.632 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 113.0 0.41 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.9 p -91.57 167.24 12.36 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.276 0.538 . . . . 0.0 111.054 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.8 171.64 44.52 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -73.39 -14.37 61.26 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -146.71 168.75 20.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.44 -26.1 67.05 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.6 -49.13 22.85 Favored 'General case' 0 C--N 1.337 0.051 0 CA-C-N 118.1 0.409 . . . . 0.0 110.661 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.23 -39.23 94.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.268 1.027 . . . . 0.0 109.192 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.71 -49.05 79.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.821 0.449 . . . . 0.0 110.616 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.49 -37.41 86.73 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 122.06 -0.4 . . . . 0.0 110.753 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.58 71.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.35 0.523 . . . . 0.0 110.727 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -75.28 -50.46 16.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.868 0.467 . . . . 0.0 110.763 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.76 81.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.655 0.382 . . . . 0.0 110.932 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.81 68.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.26 0.624 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -64.85 -35.33 80.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.1 m -68.76 -46.38 68.97 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.71 -42.11 83.1 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.784 0.433 . . . . 0.0 110.396 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.62 -63.62 1.17 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.758 0.823 . . . . 0.0 109.932 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.49 8.74 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 94.0 m -99.79 -56.18 2.45 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-N 119.041 0.837 . . . . 0.0 111.366 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.14 -28.09 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 122.225 0.21 . . . . 0.0 111.529 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.0 m-30 -92.7 -4.57 52.99 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 122.144 -0.348 . . . . 0.0 111.162 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 59.21 20.48 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.532 0.733 . . . . 0.0 112.13 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 87.9 mt -123.68 -164.38 1.22 Allowed 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.633 1.173 . . . . 0.0 110.079 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -139.62 162.03 36.09 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.505 -1.236 . . . . 0.0 110.457 179.387 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.314 -3.386 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.923 3.723 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C4'-C3'-C2' 99.326 -3.374 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.322 -3.378 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 C5'-C4'-C3' 109.025 -4.317 . 0.753 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.431 HO2' " H5'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.541 -3.159 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.431 " H5'" HO2' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.064 -3.636 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.443 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.291 -3.409 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.804 -2.896 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.956 -2.744 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.445 HO2' " H5'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.508 -3.192 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.445 " H5'" HO2' ' A' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 98.969 -3.731 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.497 HO2' " H5'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C4'-C3'-C2' 99.255 -3.445 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.497 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.546 -3.154 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.685 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.337 -3.363 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.685 " H5'" HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.108 -3.592 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.463 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.417 -3.283 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.206 -3.494 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 O4'-C1'-N19 112.305 4.105 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.245 -3.455 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.746 2.546 . 0.507 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.736 2.536 . 0.501 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 110.935 2.735 . 0.818 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C5'-C4'-C3' 110.056 -3.63 . 0.711 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.537 -3.163 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.442 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.425 -3.275 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.442 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 112.095 3.895 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.54 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.408 -3.292 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.667 HO2' " H5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 98.98 -3.72 . 0.434 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.675 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.12 -3.58 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.675 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.467 -3.233 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.113 -3.587 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 99.311 -3.389 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.431 -3.269 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.226 -3.474 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.431 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.219 -3.481 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.431 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 110.972 2.772 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 1 C5'-C4'-C3' 108.871 -4.42 . 0.735 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.187 -3.513 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.075 -3.625 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.425 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 C4'-C3'-C2' 98.436 -4.264 . 0.824 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.425 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 112.031 3.831 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.472 0.216 0 CA-C-O 120.523 0.135 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -139.32 4.62 2.22 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.037 0.535 . . . . 0.0 111.215 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.9 -179.55 39.52 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -138.99 175.24 9.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.865 0.466 . . . . 0.0 110.961 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -146.96 164.16 24.92 Favored Pre-proline 0 N--CA 1.453 -0.277 0 C-N-CA 123.772 0.829 . . . . 0.0 109.643 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.29 -9.86 22.04 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.684 2.256 . . . . 0.0 111.573 175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.38 -50.89 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.912 0.485 . . . . 0.0 110.074 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.79 -40.19 94.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.183 0.193 . . . . 0.0 111.013 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.15 -52.95 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.62 -43.11 99.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.008 0.523 . . . . 0.0 109.832 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -66.0 -4.82 7.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.477 0.711 . . . . 0.0 111.809 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -117.42 -22.35 8.24 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.481 0.312 . . . . 0.0 110.454 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.663 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.4 OUTLIER -75.6 -46.28 32.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -164.23 91.35 1.05 Allowed Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 122.758 0.423 . . . . 0.0 109.961 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.76 176.07 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.231 2.621 . . . . 0.0 110.283 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.83 51.19 0.75 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.784 -0.527 . . . . 0.0 111.784 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 -176.47 4.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 110.9 -176.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -137.37 156.42 48.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 175.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.8 m-85 -130.53 154.58 47.65 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -140.36 112.04 7.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.094 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -74.32 146.72 42.88 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.99 155.74 43.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.314 0.645 . . . . 0.0 110.27 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -56.31 172.98 0.19 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.726 1.61 . . . . 0.0 113.887 -171.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.68 169.8 15.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.264 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -153.61 176.8 11.66 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.188 0.995 . . . . 0.0 109.649 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.22 179.82 33.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.52 171.65 14.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.054 0.542 . . . . 0.0 110.768 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m -68.06 -9.35 45.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -120.87 2.17 10.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.941 0.896 . . . . 0.0 111.2 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.8 17.95 2.32 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.078 0.951 . . . . 0.0 110.243 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.459 ' HG2' ' CZ ' ' B' ' 75' ' ' PHE . 29.5 tptt -56.46 153.89 9.31 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.86 0.864 . . . . 0.0 111.207 -175.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -139.52 86.2 2.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.802 0.441 . . . . 0.0 110.883 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' B' ' 73' ' ' LYS . 21.3 m-85 -77.73 166.06 23.43 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -144.37 157.03 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.778 175.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -141.61 133.92 28.0 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -120.51 172.49 7.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.17 166.23 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.343 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -136.98 109.57 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.22 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 122.998 0.519 . . . . 0.0 109.753 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.34 7.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.326 1.051 . . . . 0.0 113.016 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.43 33.03 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 124.0 0.81 . . . . 0.0 111.672 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.46 174.19 11.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -133.93 146.02 50.12 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.07 164.45 30.24 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.743 0.417 . . . . 0.0 110.945 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -146.49 160.52 42.01 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.162 0.585 . . . . 0.0 109.657 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.35 107.6 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.9 p -84.37 164.14 19.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.72 0.76 . . . . 0.0 110.381 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.7 168.09 40.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -70.68 -13.22 61.99 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 122.658 -0.319 . . . . 0.0 111.557 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.53 159.95 43.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.393 1.077 . . . . 0.0 109.253 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -65.71 -29.62 70.19 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -71.42 -35.4 70.95 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.373 0.533 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.4 -38.14 65.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.15 -48.82 70.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.401 0.281 . . . . 0.0 110.415 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -63.25 -39.66 95.24 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.827 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.02 85.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.241 0.473 . . . . 0.0 110.696 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.07 -52.23 30.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.906 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.35 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.657 0.383 . . . . 0.0 111.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.6 66.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.684 0.394 . . . . 0.0 110.755 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -65.93 -35.51 80.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -67.28 -43.96 80.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.99 69.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.776 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' B' ' 109' ' ' PHE . 1.5 tm? -69.75 -64.85 0.8 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.36 -16.1 32.07 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -173.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.4 m -96.26 -62.26 1.3 Allowed 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.66 0.664 . . . . 0.0 111.811 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.98 -30.64 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 117.982 0.355 . . . . 0.0 111.728 -173.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.663 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 12.6 m-85 -90.23 -4.76 57.0 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.723 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 59.51 18.31 6.83 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.788 0.835 . . . . 0.0 112.459 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 75.1 mt -116.72 -163.81 0.94 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.907 0.883 . . . . 0.0 110.468 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.78 170.2 13.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 109.456 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.745 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.474 -3.226 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.449 HO2' " H5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 O4'-C1'-N19 111.764 3.564 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.559 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C4'-C3'-C2' 99.106 -3.594 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.559 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 98.88 -3.82 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.466 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.175 -3.525 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.606 HO2' " H5'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.09 -3.61 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.606 " H5'" HO2' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.372 -3.328 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.547 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.332 -3.368 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.547 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.452 -3.248 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.823 -2.877 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.455 -3.245 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.555 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 98.988 -3.712 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.555 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.394 -3.306 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.526 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.547 -3.153 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C5'-C4'-O4' 112.879 2.628 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 C5'-C4'-C3' 108.488 -4.674 . 0.508 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.412 HO2' " H5'" ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.54 -3.16 . 0.456 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.433 HO2' " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.091 -3.609 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.433 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 112.274 4.074 . 0.786 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.059 -3.641 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 C5'-C4'-C3' 108.345 -4.77 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 O4'-C1'-N19 112.244 4.044 . 0.301 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 110.786 2.586 . 0.866 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.433 HO2' " H5'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C5'-C4'-C3' 111.368 -2.754 . 0.687 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.433 " H5'" HO2' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.4 -3.3 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.67 -3.03 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 O4'-C1'-N19 111.8 3.6 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.503 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.607 -3.093 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.503 " C5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.138 -3.562 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.531 -3.169 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.721 -2.979 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.1 -3.6 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.315 -3.385 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 99.6 -3.1 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.224 -3.476 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.065 -3.635 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.25 -3.45 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.501 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 98.843 -3.857 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.501 " H5'" HO2' ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.02 -3.68 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 98.793 -3.907 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.42 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.469 -4.231 . 0.82 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.42 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 112.062 3.862 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 N--CA 1.471 0.15 0 CA-C-O 120.543 0.143 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -71.96 -13.15 61.55 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 111.709 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.12 176.58 25.47 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -75.94 -12.61 60.18 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.808 0.443 . . . . 0.0 112.028 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.499 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 68.0 m-20 59.33 170.73 0.06 OUTLIER Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 124.561 1.145 . . . . 0.0 111.114 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 67.2 Cg_endo -73.58 -8.77 22.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.189 1.926 . . . . 0.0 110.525 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.04 -52.56 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.323 1.049 . . . . 0.0 110.446 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.9 tpp -71.45 -30.65 66.28 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.399 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mt -59.21 -53.85 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.48 -49.35 72.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.398 1.079 . . . . 0.0 109.409 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.74 -4.99 22.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -106.43 -27.41 10.96 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.907 0.776 . . . . 0.0 110.367 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.94 -54.35 6.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -155.87 86.21 3.19 Favored Pre-proline 0 N--CA 1.453 -0.294 0 O-C-N 123.125 0.265 . . . . 0.0 110.427 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.85 177.45 6.99 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.536 2.824 . . . . 0.0 109.975 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.53 46.65 0.78 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.02 -175.23 3.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.881 0.872 . . . . 0.0 110.574 -175.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -138.51 156.33 47.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.2 m-85 -130.63 154.45 47.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -139.91 111.93 7.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.23 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.2 147.09 45.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.14 158.56 37.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.615 0.766 . . . . 0.0 110.201 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -53.86 174.28 0.05 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 126.497 1.919 . . . . 0.0 115.357 -168.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -126.22 173.2 9.45 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.111 0.964 . . . . 0.0 112.448 -175.153 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -161.94 173.04 15.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.072 0.949 . . . . 0.0 109.592 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.66 172.06 36.18 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.769 0.7 . . . . 0.0 112.951 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.9 176.94 6.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.841 0.856 . . . . 0.0 110.462 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -63.04 -1.92 1.09 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -127.28 2.73 6.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.555 0.742 . . . . 0.0 111.563 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.93 11.21 2.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.916 0.886 . . . . 0.0 110.485 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -55.62 143.15 31.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.986 0.914 . . . . 0.0 111.201 -174.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -141.79 156.47 45.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 37.5 m-85 -139.64 169.56 17.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.362 1.465 . . . . 0.0 107.802 -178.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.78 157.46 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.517 -1.273 . . . . 0.0 110.711 174.018 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tpt -143.72 136.01 26.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.1 p -122.94 172.33 8.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.63 0.372 . . . . 0.0 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.52 166.38 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -137.38 110.0 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.56 127.9 65.24 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.755 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.7 t70 57.36 9.26 0.71 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.946 0.898 . . . . 0.0 112.76 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.46 -13.19 43.38 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.063 0.839 . . . . 0.0 111.698 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 173.95 11.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -133.89 145.87 50.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -141.61 163.87 31.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.713 0.405 . . . . 0.0 110.881 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -146.39 162.22 38.69 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 109.714 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.45 106.39 0.22 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.7 p -82.9 164.57 20.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 117.611 0.705 . . . . 0.0 110.183 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.32 173.0 43.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.75 -13.03 60.06 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.835 0.454 . . . . 0.0 111.563 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -150.84 167.66 26.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.717 0.807 . . . . 0.0 109.68 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -62.41 -44.81 95.55 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 123.363 0.665 . . . . 0.0 112.589 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -66.11 -34.66 78.56 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 122.38 -0.2 . . . . 0.0 111.166 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.93 -38.28 69.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.93 74.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -63.83 -37.95 89.27 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.669 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.23 83.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.414 0.552 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.46 -53.73 15.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.721 0.408 . . . . 0.0 110.661 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.16 77.64 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.567 0.347 . . . . 0.0 111.592 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.19 69.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.482 0.313 . . . . 0.0 110.502 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -62.21 -37.32 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.9 m -67.55 -45.69 74.91 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.066 0.394 . . . . 0.0 110.147 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.5 -42.78 88.43 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.496 0.319 . . . . 0.0 110.287 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 5.8 tt -61.12 -65.94 0.61 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.324 1.05 . . . . 0.0 109.395 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.5 -10.81 2.38 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.5 m -104.64 -55.03 2.41 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.957 0.799 . . . . 0.0 111.661 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.91 -27.31 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 118.143 0.428 . . . . 0.0 110.486 -175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.404 ' CD2' ' HG ' ' B' ' 105' ' ' LEU . 5.4 m-30 -92.72 -4.99 52.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.358 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 59.25 20.62 8.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.504 0.722 . . . . 0.0 112.602 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 77.9 mt -119.08 -165.13 1.1 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.046 0.939 . . . . 0.0 110.504 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . 0.513 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.4 t-80 -135.81 -178.73 5.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.281 0.632 . . . . 0.0 109.874 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.513 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.379 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.385 -3.315 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.43 HO2' " H5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 O4'-C1'-N19 111.792 3.592 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.43 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C4'-C3'-C2' 99.324 -3.376 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 C4'-C3'-C2' 99.175 -3.525 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 109.669 -3.887 . 0.826 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.458 HO2' " H5'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.275 -3.425 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.458 " H5'" HO2' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.587 -3.113 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.519 -3.181 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.191 -3.509 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.67 -3.03 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.783 -2.917 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.562 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 98.933 -3.767 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.562 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.148 -3.552 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.522 " H5'" HO2' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.522 -3.178 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.469 " H5'" HO2' ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 100.095 -2.605 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.609 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.587 -3.113 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.609 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.314 -3.386 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.524 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.235 -3.465 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.423 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.283 4.083 . 0.866 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.542 0 C4'-C3'-C2' 99.159 -3.541 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 C5'-C4'-C3' 108.243 -4.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.354 4.154 . 0.306 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.02 2.82 . 0.864 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.911 -3.059 . 0.707 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.912 -2.788 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.469 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.509 -3.191 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.469 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 112.232 4.032 . 0.802 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.572 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.429 -3.271 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.572 " C5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.712 -2.988 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.71 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C4'-C3'-C2' 99.149 -3.551 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.71 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 C4'-C3'-C2' 99.85 -2.85 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.706 3.506 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.39 -3.31 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.578 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.11 -3.59 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.604 HO2' " H5'" ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.165 -3.535 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.604 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.191 -3.509 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.436 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.256 3.056 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.593 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C5'-C4'-C3' 109.176 -4.216 . 0.73 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.593 " H5'" HO2' ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 98.973 -3.727 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.515 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 98.955 -3.745 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.41 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.662 1 C4'-C3'-C2' 98.362 -4.338 . 0.801 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.41 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 112.147 3.947 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 N--CA 1.471 0.182 0 N-CA-C 112.434 0.129 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 93.2 p -77.24 -171.92 2.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.667 0.787 . . . . 0.0 110.603 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.83 -5.74 20.39 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 119.969 -0.35 . . . . 0.0 112.439 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.36 2.0 10.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.661 0.785 . . . . 0.0 111.464 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -55.4 159.44 4.55 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.868 0.867 . . . . 0.0 111.288 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.07 -11.45 29.09 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.846 2.364 . . . . 0.0 111.505 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.61 -51.93 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.3 mmt -69.25 -30.32 68.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 45.3 mt -61.23 -54.97 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.9 -50.06 73.67 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.145 0.978 . . . . 0.0 109.439 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.46 -10.5 44.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.739 . . . . 0.0 112.816 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -105.66 -30.75 9.27 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.456 0.571 . . . . 0.0 110.759 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.9 tt -78.1 -50.79 11.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.442 -0.162 . . . . 0.0 110.771 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -153.67 80.54 5.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 178.11 5.76 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.387 2.725 . . . . 0.0 110.024 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.71 46.19 1.06 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.131 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.51 -174.5 3.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.332 1.053 . . . . 0.0 109.932 -177.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -139.21 154.06 47.97 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 32.5 m-85 -128.93 154.37 46.62 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -141.04 112.01 7.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -68.75 147.64 51.5 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.714 0.406 . . . . 0.0 109.944 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.07 157.5 41.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.513 0.725 . . . . 0.0 110.016 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.2 m -53.61 173.74 0.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.428 1.891 . . . . 0.0 115.114 -168.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB2' ' HE3' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -118.17 171.92 7.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.231 -175.238 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -149.35 170.81 17.67 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.168 0.987 . . . . 0.0 109.925 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.86 173.41 49.49 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 123.589 0.614 . . . . 0.0 112.806 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -80.46 -174.06 4.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.266 1.026 . . . . 0.0 110.42 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 26.4 p -59.97 -11.64 6.17 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.232 0.613 . . . . 0.0 111.791 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -121.78 155.95 34.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.892 1.277 . . . . 0.0 107.917 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.77 20.16 1.09 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.704 0.402 . . . . 0.0 111.72 -172.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' B' ' 66' ' ' GLU . 42.3 tptt -56.03 152.62 10.11 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.493 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -141.48 153.59 45.03 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.74 0.416 . . . . 0.0 110.51 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -142.69 172.13 13.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.772 1.629 . . . . 0.0 107.709 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.92 159.06 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.777 174.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 87.7 mmm -127.33 157.01 41.05 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 107.972 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -134.37 170.65 15.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 167.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 2.0 t -145.96 161.38 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.16 109.65 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.4 138.22 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.73 12.22 1.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.249 0.619 . . . . 0.0 112.459 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.29 -11.28 70.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.28 170.07 17.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -133.01 144.19 49.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.01 167.19 22.61 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.529 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -146.8 162.3 38.88 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.85 111.69 0.35 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.1 p -91.0 164.77 13.85 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 117.31 0.555 . . . . 0.0 111.026 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.95 169.44 41.84 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.95 -10.6 59.64 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.411 0.605 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.18 162.81 38.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.545 1.138 . . . . 0.0 109.31 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.03 -34.64 78.93 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.82 -44.12 78.02 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 118.135 0.425 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.13 -39.56 86.61 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.33 83.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.442 0.297 . . . . 0.0 110.966 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -66.17 -39.33 89.67 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 122.061 -0.399 . . . . 0.0 110.496 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.77 71.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.134 0.425 . . . . 0.0 110.512 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.13 -55.34 6.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.929 0.491 . . . . 0.0 110.615 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.41 79.31 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.656 0.382 . . . . 0.0 111.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.8 72.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.205 0.602 . . . . 0.0 110.388 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -65.26 -37.34 86.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.2 m -67.89 -43.66 78.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 118.243 0.474 . . . . 0.0 110.231 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.58 87.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.848 0.459 . . . . 0.0 110.137 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.3 -59.89 4.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.604 0.762 . . . . 0.0 109.467 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.16 -16.62 8.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -103.15 -55.94 2.32 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 118.589 0.631 . . . . 0.0 111.599 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.28 -29.53 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.059 0 C-N-CA 122.287 0.235 . . . . 0.0 111.188 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.0 m-30 -91.38 -8.74 47.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 122.249 -0.282 . . . . 0.0 111.139 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.26 18.12 4.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 111.288 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.32 108.86 10.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.886 1.275 . . . . 0.0 109.312 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -62.8 157.89 20.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.624 0.25 . . . . 0.0 110.601 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.668 -1.158 . . . . 0.0 110.324 179.017 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.406 -3.294 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.422 HO2' " H5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 O4'-C1'-N19 111.729 3.529 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.422 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 C4'-C3'-C2' 99.282 -3.418 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.426 HO2' " H5'" ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.158 -3.542 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.565 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.195 -3.505 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.565 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.571 -3.129 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.24 -3.46 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.594 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.252 -3.448 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.594 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.435 -3.265 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 100.191 -2.509 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.538 -3.162 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.547 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.896 -3.804 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.547 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.638 -3.062 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.42 HO2' " H5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.396 -3.304 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.53 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.869 -2.831 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.53 " H5'" HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.35 -3.35 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.407 HO2' " H5'" ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.457 -3.243 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.407 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.386 -3.314 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 112.055 3.855 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.083 -3.617 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 O4'-C1'-N19 111.128 2.928 . 0.589 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C5'-C4'-C3' 112.107 -2.262 . 0.611 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.878 3.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C5'-C4'-C3' 109.697 -3.869 . 0.574 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.409 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.549 -3.151 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.409 " H5'" HO2' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.635 -3.065 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 O4'-C1'-N19 111.959 3.759 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 98.956 -3.744 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-C3' 109.547 -3.968 . 0.242 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.039 -3.661 . 0.311 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.87 -2.83 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.101 -3.599 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.252 -3.448 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C4'-C3'-C2' 99.205 -3.495 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.138 -3.562 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.453 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.056 -3.644 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.453 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 111.333 3.133 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.552 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C5'-C4'-C3' 108.958 -4.361 . 0.423 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.552 " H5'" HO2' ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.276 -3.424 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.506 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 98.93 -3.77 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.404 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.734 1 C4'-C3'-C2' 98.461 -4.239 . 0.79 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.404 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 O4'-C1'-N19 111.978 3.778 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 CA--C 1.528 0.219 0 N-CA-C 112.492 0.151 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.0 m -68.33 -5.54 19.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.401 0.68 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.66 -7.42 63.32 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.641 0.639 . . . . 0.0 112.394 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -74.46 171.51 13.63 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.673 0.737 . . . . 0.0 110.428 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . 0.424 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 49.8 m-80 -70.66 165.57 44.69 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 171.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 66.3 Cg_endo -72.95 -11.86 25.75 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.118 1.879 . . . . 0.0 110.933 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -52.07 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.587 0.755 . . . . 0.0 110.263 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.2 mtp -75.34 -25.05 57.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.181 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 53.5 mt -61.35 -52.61 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.27 -49.39 77.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.092 0.957 . . . . 0.0 109.7 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.81 -11.95 50.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.391 0.676 . . . . 0.0 112.703 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.32 -31.61 8.99 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.353 0.524 . . . . 0.0 110.799 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.73 -49.42 16.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -154.0 84.06 4.16 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 122.439 0.296 . . . . 0.0 110.375 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.86 178.99 5.19 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.202 2.601 . . . . 0.0 109.943 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.59 53.08 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.37 -178.01 4.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.985 0.914 . . . . 0.0 110.444 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -140.81 106.72 5.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.484 ' CG ' HG11 ' B' ' 79' ' ' VAL . 50.2 m-85 -84.76 152.5 23.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.06 111.74 7.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.901 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.28 147.98 51.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.737 0.415 . . . . 0.0 109.994 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.48 157.6 41.55 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.546 0.738 . . . . 0.0 109.925 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -53.48 174.21 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 126.696 1.999 . . . . 0.0 115.389 -168.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 170.95 10.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.929 -175.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -153.9 168.67 25.58 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.312 1.045 . . . . 0.0 109.819 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 174.37 32.65 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.203 0.43 . . . . 0.0 112.271 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.39 -173.32 3.25 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.809 0.843 . . . . 0.0 110.142 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -66.1 -3.54 5.7 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.114 -0.366 . . . . 0.0 111.238 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -127.5 160.68 30.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.895 1.278 . . . . 0.0 108.148 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.71 15.04 0.33 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.06 0.544 . . . . 0.0 112.342 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.99 155.04 17.58 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.943 0.897 . . . . 0.0 111.077 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.6 m -141.8 156.05 45.57 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.689 0.396 . . . . 0.0 110.398 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -141.8 172.94 11.99 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.436 1.494 . . . . 0.0 107.837 -178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.9 OUTLIER -148.24 158.71 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 118.208 -1.397 . . . . 0.0 111.687 175.187 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.6 mmm -127.69 156.72 41.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.899 1.28 . . . . 0.0 107.945 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.3 p -134.65 169.08 17.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.484 HG11 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -146.97 161.95 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.356 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -131.51 109.95 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.577 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.27 8.66 0.6 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.021 0.928 . . . . 0.0 112.868 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.32 -12.78 36.71 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.202 0.906 . . . . 0.0 111.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.07 172.74 13.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -132.87 145.34 50.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -140.82 166.17 25.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.642 0.377 . . . . 0.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.01 162.42 37.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.627 0.771 . . . . 0.0 109.385 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.37 106.08 0.21 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -86.02 164.12 17.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 117.374 0.587 . . . . 0.0 110.623 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.67 172.1 41.77 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -73.14 -14.62 61.41 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 117.088 0.444 . . . . 0.0 112.003 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -150.36 162.2 41.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.387 1.075 . . . . 0.0 108.594 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -32.41 73.58 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -67.66 -48.65 66.03 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.368 0.667 . . . . 0.0 110.426 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.4 -38.68 90.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.444 0.697 . . . . 0.0 109.837 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.15 86.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.813 0.445 . . . . 0.0 111.264 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -65.3 -36.33 83.73 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.978 -0.451 . . . . 0.0 110.714 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.46 69.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.251 0.478 . . . . 0.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -78.1 -51.31 10.47 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.738 0.415 . . . . 0.0 110.94 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.45 84.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.592 0.357 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.66 -36.45 70.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.935 0.494 . . . . 0.0 110.759 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -66.13 -36.66 83.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.3 m -67.05 -44.64 79.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.74 95.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.453 0.301 . . . . 0.0 110.429 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.36 -66.9 0.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.056 0.942 . . . . 0.0 109.75 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.36 -15.94 7.75 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.6 m -97.04 -58.06 2.12 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.68 0.673 . . . . 0.0 111.127 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.06 -28.96 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 117.815 0.28 . . . . 0.0 110.89 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -92.17 -5.42 52.63 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.338 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 58.86 21.48 9.14 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.407 0.683 . . . . 0.0 112.675 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.56 -167.3 1.44 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.767 0.827 . . . . 0.0 110.674 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.0 t-80 -132.75 -177.75 4.63 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.124 0.569 . . . . 0.0 110.055 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.528 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.9 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.412 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.517 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.361 -3.339 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.517 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 O4'-C1'-N19 111.683 3.483 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.489 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.263 -3.437 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.489 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.034 -3.666 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.562 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.468 -3.232 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.562 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.405 -3.295 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.505 HO2' " H5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.208 -3.492 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.588 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.289 -3.411 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.588 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.554 -3.146 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.783 -2.917 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 99.58 -3.12 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.545 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.004 -3.696 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.545 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.437 -3.263 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.49 -3.21 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.403 -3.297 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.662 -3.038 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.435 HO2' " H5'" ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.326 -3.374 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.435 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.181 -3.519 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.408 HO2' " H5'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 98.791 -3.909 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.533 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.53 -3.17 OUTLIER-EPSILON 0.443 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.407 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 P-O3'-C3' 125.363 4.719 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.533 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.477 1 O4'-C1'-N19 112.38 4.18 . 0.374 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.861 2.661 . 0.836 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.412 HO2' " H5'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C5'-C4'-C3' 111.369 -2.754 . 0.604 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.412 " H5'" HO2' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.8 -2.9 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.633 -3.067 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.065 -3.635 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 98.83 -3.87 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 98.849 -3.851 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.637 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.267 -3.433 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.637 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C4'-C3'-C2' 99.571 -3.129 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.211 -3.489 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.352 -3.348 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.583 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 C4'-C3'-C2' 99.158 -3.542 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.583 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.399 -3.301 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.424 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.106 -3.594 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.424 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C1'-N19 111.003 2.803 . 0.87 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C5'-C4'-C3' 109.775 -3.817 . 0.657 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.306 -3.394 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.129 -3.571 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.423 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 C4'-C3'-C2' 98.386 -4.314 . 0.824 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.423 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 112.014 3.814 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo . . . . . 0 N--CA 1.471 0.201 0 N-CA-C 112.517 0.16 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.6 m -68.49 -7.85 35.8 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.768 0.427 . . . . 0.0 111.944 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.85 9.8 35.72 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.507 0.575 . . . . 0.0 112.639 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.88 -16.93 32.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.775 0.788 . . . . 0.0 111.996 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -142.42 158.86 59.8 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 123.067 0.547 . . . . 0.0 110.0 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.413 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 77.1 Cg_endo -76.11 -9.12 19.16 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.195 2.597 . . . . 0.0 111.035 175.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.06 -47.94 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.553 0.341 . . . . 0.0 110.117 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.8 mmt -69.91 -45.43 67.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.413 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.7 pt -60.27 -36.02 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 CA-C-N 119.076 0.853 . . . . 0.0 110.569 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.61 -53.69 43.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.99 -10.61 6.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.467 1.507 . . . . 0.0 113.504 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.08 -18.5 11.67 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 118.76 0.709 . . . . 0.0 111.826 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.419 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -88.66 -49.8 6.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -158.53 83.18 2.64 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.715 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.21 178.93 5.45 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.448 2.765 . . . . 0.0 109.644 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.32 31.07 1.2 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 112.261 -0.335 . . . . 0.0 112.261 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 -172.72 2.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.588 0.755 . . . . 0.0 110.686 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' B' ' 60' ' ' LYS . 13.1 ptpt -148.3 156.82 43.01 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.408 ' CG ' HG11 ' B' ' 79' ' ' VAL . 30.7 m-85 -126.68 155.15 43.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 118.243 0.474 . . . . 0.0 110.24 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -140.12 112.17 7.61 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.388 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.31 148.33 50.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.879 0.472 . . . . 0.0 110.12 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.68 157.45 42.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.621 0.768 . . . . 0.0 109.922 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -54.44 175.19 0.05 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.666 1.986 . . . . 0.0 115.475 -168.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.11 171.31 9.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.024 0.93 . . . . 0.0 112.511 -174.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 172.84 15.84 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.276 1.03 . . . . 0.0 110.037 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.24 175.94 50.95 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.738 0.685 . . . . 0.0 113.026 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -93.77 175.72 6.62 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.024 0.93 . . . . 0.0 110.12 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -63.19 -3.16 1.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.99 1.2 10.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.517 0.727 . . . . 0.0 111.542 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.28 14.08 1.82 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.091 0.956 . . . . 0.0 109.959 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -56.85 147.18 24.07 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.256 1.023 . . . . 0.0 111.933 -172.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -143.51 155.48 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.354 0.662 . . . . 0.0 109.472 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -141.2 171.78 13.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.289 1.436 . . . . 0.0 108.026 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.78 158.92 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 118.386 -1.325 . . . . 0.0 111.538 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.6 mmm -126.44 156.75 40.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.726 1.21 . . . . 0.0 107.998 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 95.1 p -133.94 170.74 15.18 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.8 t -147.36 159.68 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -134.16 109.91 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 170.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.86 137.86 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.737 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.48 12.49 1.07 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.222 0.609 . . . . 0.0 112.453 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.8 -10.73 72.05 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -80.03 169.54 17.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -131.52 143.9 50.73 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -138.07 167.18 22.34 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 111.656 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.33 162.91 37.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.898 0.879 . . . . 0.0 109.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.86 108.44 0.26 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.5 p -89.56 163.58 15.13 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.269 0.534 . . . . 0.0 110.76 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.09 170.2 41.33 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -74.23 -10.8 59.96 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.481 0.641 . . . . 0.0 112.005 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -148.48 164.49 34.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.555 1.142 . . . . 0.0 109.681 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.42 -36.69 84.99 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.449 ' HE3' ' OP1' ' A' ' 30' ' ' ' C' . 84.7 tttt -65.9 -46.18 79.26 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 123.125 0.57 . . . . 0.0 110.806 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.32 -39.59 85.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.18 84.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.915 0.486 . . . . 0.0 111.058 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -65.88 -39.09 90.35 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.034 -0.416 . . . . 0.0 110.443 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.98 71.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.242 0.473 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -75.14 -52.35 11.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.964 0.505 . . . . 0.0 110.854 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.62 78.7 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.8 69.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.202 0.601 . . . . 0.0 110.726 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -66.27 -37.75 86.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -67.49 -44.69 77.88 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.07 89.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.929 0.491 . . . . 0.0 110.276 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -61.35 -64.02 1.09 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.595 0.758 . . . . 0.0 109.816 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.91 -14.0 5.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.1 m -99.29 -57.46 2.15 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 118.674 0.67 . . . . 0.0 111.013 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.98 -26.32 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 122.581 0.352 . . . . 0.0 111.476 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.8 m-30 -93.72 -4.95 49.52 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.974 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 59.22 21.24 9.35 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.686 0.795 . . . . 0.0 112.554 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.89 -167.58 1.51 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.899 0.879 . . . . 0.0 110.729 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . 0.507 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.0 t-80 -132.45 -179.91 5.73 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.929 0.492 . . . . 0.0 110.177 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.507 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.129 -1.415 . . . . 0.0 110.431 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.517 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.295 -3.405 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.517 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.768 3.568 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.556 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.158 -3.542 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.556 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 111.824 3.624 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.33 -3.37 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.597 -3.103 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.519 HO2' " H5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.097 -3.603 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.519 " H5'" HO2' ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.327 -3.373 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.427 -3.273 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.787 -2.913 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.471 HO2' " H5'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.391 -3.309 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.574 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.493 1 C4'-C3'-C2' 98.675 -4.025 . 0.815 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.574 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 99.213 -3.487 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.73 -2.97 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.574 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 100.057 -2.643 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.574 " H5'" HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.41 -3.29 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.554 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.025 -3.675 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.473 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.149 -3.551 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.424 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 111.25 3.05 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 1 C5'-C4'-C3' 108.093 -4.938 . 0.837 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.409 " H2'" " O5'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C4'-C3'-C2' 99.627 -3.073 . 0.214 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 1 C5'-C4'-C3' 108.796 -4.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C5'-C4'-C3' 109.672 -3.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 110.285 -3.477 . 0.635 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.47 -3.23 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.481 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.377 -3.323 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.481 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 112.059 3.859 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.001 -3.699 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 C5'-C4'-C3' 109.312 -4.125 . 0.214 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.449 ' OP1' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.32 -3.38 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.178 -3.522 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.086 -3.614 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.271 -3.429 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.59 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 99.194 -3.506 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.606 HO2' " H5'" ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.033 -3.667 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.606 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.736 3.536 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.373 -3.327 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.032 -3.668 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.112 -3.588 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.833 -3.867 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.425 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.559 1 C4'-C3'-C2' 98.454 -4.246 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.425 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 112.184 3.984 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 N--CA 1.478 0.601 0 N-CA-C 112.281 0.07 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.0 t -149.47 -176.76 5.52 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.574 0.749 . . . . 0.0 109.878 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.47 6.38 57.5 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.008 0.337 . . . . 0.0 112.358 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -66.86 -7.51 22.25 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.343 1.057 . . . . 0.0 112.521 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -141.15 164.23 37.02 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 122.844 0.458 . . . . 0.0 111.344 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -71.17 -11.98 29.57 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.075 2.516 . . . . 0.0 111.559 175.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.16 -49.78 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 122.977 0.511 . . . . 0.0 109.949 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.0 tpp -67.24 -36.89 82.59 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 42.4 mt -57.07 -54.38 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.11 -48.55 75.97 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.188 0.995 . . . . 0.0 109.529 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -67.75 -9.74 46.57 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.506 0.722 . . . . 0.0 112.864 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.1 -42.97 6.5 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -70.81 -51.31 27.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.61 0.364 . . . . 0.0 111.418 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -152.26 79.83 6.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.09 177.73 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.581 2.854 . . . . 0.0 109.963 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.85 1.37 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.44 -0.409 . . . . 0.0 112.572 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -177.67 4.07 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.737 0.815 . . . . 0.0 110.568 -175.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -138.1 158.1 44.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 32.4 m-85 -130.68 155.41 46.64 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.87 112.44 7.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.358 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.92 148.25 50.46 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.27 157.43 41.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.73 0.812 . . . . 0.0 109.594 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -56.6 176.55 0.09 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.083 1.753 . . . . 0.0 115.133 -168.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.64 174.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.041 0.936 . . . . 0.0 112.215 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 82.8 p -154.75 173.25 16.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.648 0.779 . . . . 0.0 110.103 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.84 171.42 47.75 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.501 0.572 . . . . 0.0 112.585 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.43 -172.37 3.78 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.266 1.027 . . . . 0.0 110.337 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -61.24 -9.45 5.03 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -120.79 156.8 31.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.1 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.92 19.05 0.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.474 0.31 . . . . 0.0 111.788 -173.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.2 148.55 22.0 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.138 0.975 . . . . 0.0 110.358 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.54 154.22 45.34 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 123.164 0.29 . . . . 0.0 110.526 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -140.73 173.16 11.76 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.911 1.684 . . . . 0.0 107.128 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.75 159.39 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.897 175.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 86.2 mmm -128.31 156.34 43.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 108.137 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 92.7 p -133.5 170.44 15.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 167.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 2.1 t -146.51 162.67 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.44 109.13 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.57 138.0 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.1 12.39 1.26 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.154 0.582 . . . . 0.0 112.51 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.04 -11.41 70.8 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 170.21 16.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -132.52 145.12 50.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.33 168.17 20.43 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.502 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -146.39 162.06 39.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.667 0.787 . . . . 0.0 109.223 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.03 106.98 0.23 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -85.32 166.66 16.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.344 0.572 . . . . 0.0 110.49 175.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.0 172.19 44.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -69.39 -19.15 63.82 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 117.088 0.444 . . . . 0.0 112.196 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.54 174.84 12.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.798 0.839 . . . . 0.0 109.684 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -61.85 -40.16 94.36 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.835 0.854 . . . . 0.0 112.395 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.36 -49.98 50.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 122.866 0.466 . . . . 0.0 110.983 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -38.19 85.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.57 0.748 . . . . 0.0 109.965 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.59 73.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.65 0.38 . . . . 0.0 110.756 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -64.0 -35.02 79.33 Favored 'General case' 0 C--O 1.225 -0.194 0 O-C-N 122.043 -0.411 . . . . 0.0 110.526 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.45 78.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.045 0.384 . . . . 0.0 110.299 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.14 -49.22 29.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.726 0.41 . . . . 0.0 110.839 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.32 86.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.548 0.339 . . . . 0.0 110.884 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 -37.46 66.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.882 0.473 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.43 -40.06 93.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 61.4 m -68.63 -43.5 76.2 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.76 90.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.97 0.508 . . . . 0.0 110.852 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 7.9 tt -64.2 -62.38 1.65 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.676 0.39 . . . . 0.0 110.412 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.95 56.8 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -79.46 -57.49 3.67 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 118.495 0.589 . . . . 0.0 111.223 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.44 -28.67 42.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 122.549 0.339 . . . . 0.0 111.527 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.7 m-30 -94.94 0.81 55.03 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.35 -0.834 . . . . 0.0 111.002 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 13.76 1.31 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.517 1.527 . . . . 0.0 114.385 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.1 174.1 6.11 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.032 0.533 . . . . 0.0 112.074 -174.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -92.29 161.53 14.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.228 -179.726 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.331 -3.369 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.443 HO2' " H5'" ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.695 3.495 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.443 " H5'" HO2' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.158 -3.542 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.529 HO2' " H5'" ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 98.968 -3.732 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.529 " H5'" HO2' ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.538 -3.162 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.532 HO2' " H5'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.335 -3.365 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.532 " H5'" HO2' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.516 -3.184 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.544 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.282 -3.418 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.544 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.23 -3.47 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.559 -3.141 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.525 -3.175 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.214 -3.486 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.687 -3.013 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.452 HO2' " H5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.672 -3.028 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.452 " H5'" HO2' ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-O4' 113.013 2.724 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.475 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 C5'-C4'-C3' 108.676 -4.549 . 0.547 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.475 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.646 -3.054 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.353 -3.347 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 112.002 3.802 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . 0.481 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.777 -2.923 OUTLIER-EPSILON 0.467 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 P-O3'-C3' 125.248 4.623 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.481 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 112.162 3.962 . 0.347 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 111.165 2.965 . 0.834 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C5'-C4'-C3' 110.407 -3.395 . 0.655 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.42 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.509 -3.191 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.42 " H5'" HO2' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.456 -3.244 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 111.849 3.649 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.579 -3.121 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.017 -3.683 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C4'-C3'-C2' 99.368 -3.332 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.568 HO2' " H5'" ' A' ' 32' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.744 -2.956 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.568 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.9 3.7 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . 0.405 HO2' " H5'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.397 -3.303 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.597 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.185 -3.515 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.597 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 98.967 -3.733 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.595 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.912 3.712 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.445 HO2' " H5'" ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.188 -3.512 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.445 " H5'" HO2' ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 98.921 -3.779 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.6 HO2' " H5'" ' A' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.068 -3.632 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.6 " H5'" HO2' ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 98.756 -3.944 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.421 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 C4'-C3'-C2' 98.416 -4.284 . 0.812 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.421 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 112.043 3.843 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.487 0 N-CA-C 112.531 0.166 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 m -67.95 -9.87 48.78 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.79 15.8 71.66 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 118.447 0.567 . . . . 0.0 112.554 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.7 1.23 1.35 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.157 0.983 . . . . 0.0 113.53 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -134.43 159.47 72.14 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 123.429 0.692 . . . . 0.0 110.02 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.409 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 90.8 Cg_endo -74.33 -13.03 23.1 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.285 2.657 . . . . 0.0 111.951 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.36 -51.64 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -74.46 -38.28 63.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.244 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.409 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.4 pt -61.55 -35.9 69.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 C-N-CA 118.549 -1.26 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.35 -59.17 5.06 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -66.91 -0.34 3.02 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.81 -17.8 10.94 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.482 0.583 . . . . 0.0 110.938 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -89.96 -51.05 5.67 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -145.81 81.92 9.67 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.301 0.64 . . . . 0.0 110.23 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.49 176.14 8.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.259 2.639 . . . . 0.0 110.166 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.57 49.52 0.8 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -175.6 3.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.865 0.866 . . . . 0.0 110.314 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' B' ' 60' ' ' LYS . 3.4 mppt? -143.28 113.11 7.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.756 0.423 . . . . 0.0 110.339 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.469 ' CG ' HG13 ' B' ' 79' ' ' VAL . 42.8 m-85 -85.73 155.38 21.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.271 0.557 . . . . 0.0 110.891 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.06 110.42 6.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.967 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -72.42 147.09 46.49 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.4 158.1 39.24 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.447 0.699 . . . . 0.0 110.361 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -53.1 173.81 0.04 OUTLIER 'General case' 0 C--O 1.23 0.077 0 C-N-CA 126.815 2.046 . . . . 0.0 115.393 -168.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.24 173.9 10.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.26 1.024 . . . . 0.0 112.634 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -159.71 167.03 29.3 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.856 1.263 . . . . 0.0 108.618 175.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.56 -172.01 23.23 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 121.168 0.316 . . . . 0.0 112.857 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.34 21.17 5.68 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.603 1.161 . . . . 0.0 111.609 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.6 m 76.09 -1.67 2.9 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.045 1.738 . . . . 0.0 113.107 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -127.51 0.02 6.23 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.652 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.43 14.99 2.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.044 1.337 . . . . 0.0 109.637 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -56.86 142.16 42.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.589 1.156 . . . . 0.0 111.578 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.0 m -142.02 159.32 42.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.375 0.67 . . . . 0.0 109.781 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -141.16 170.83 15.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 125.015 1.326 . . . . 0.0 108.465 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.26 156.86 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 118.445 -1.302 . . . . 0.0 110.79 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -142.21 133.54 26.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -123.85 173.07 8.42 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.469 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.29 160.68 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.866 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.49 111.02 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.81 138.7 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.67 11.73 0.96 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.27 -10.9 71.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -80.01 170.03 17.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -132.09 144.93 51.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.33 163.63 32.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.001 0.52 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -146.04 162.49 37.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.962 0.505 . . . . 0.0 109.923 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.81 103.3 0.18 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.8 p -81.27 163.87 22.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.493 0.646 . . . . 0.0 110.15 175.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.84 174.33 43.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.12 -15.53 61.48 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.974 0.51 . . . . 0.0 111.916 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -155.21 167.81 29.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.273 1.029 . . . . 0.0 109.563 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -63.12 -40.97 99.17 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.29 0.636 . . . . 0.0 112.109 -175.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -62.81 -39.16 93.4 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.289 0.635 . . . . 0.0 110.346 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.67 -39.75 57.08 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.546 0.739 . . . . 0.0 110.617 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -49.59 74.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -63.67 -37.82 88.8 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 119.314 -0.375 . . . . 0.0 111.064 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.87 71.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.405 0.548 . . . . 0.0 110.953 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -75.64 -51.0 13.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.833 0.453 . . . . 0.0 110.777 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.771 0.429 . . . . 0.0 111.442 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.36 -33.19 69.34 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.569 0.348 . . . . 0.0 110.701 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -66.43 -38.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -68.63 -43.66 75.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.071 0.548 . . . . 0.0 110.594 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -57.97 10.16 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.392 0.677 . . . . 0.0 110.032 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.68 42.94 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -92.65 -56.68 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.374 0.534 . . . . 0.0 111.476 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.91 -28.88 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.45 0.3 . . . . 0.0 111.717 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.8 m-30 -95.68 -0.79 51.2 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.379 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 51.67 17.18 0.55 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.809 1.243 . . . . 0.0 112.785 -173.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 47.6 mt -130.18 107.14 9.08 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.765 1.226 . . . . 0.0 109.643 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.26 158.09 14.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.609 0.242 . . . . 0.0 110.805 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.634 179.402 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.454 -3.246 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.888 3.688 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C4'-C3'-C2' 99.241 -3.459 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C4'-C3'-C2' 99.044 -3.656 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.519 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.268 -3.432 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.519 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 N19-C1'-C2' 107.92 -3.425 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.736 -2.964 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.293 -3.407 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 C4'-C3'-C2' 99.214 -3.486 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.415 HO2' " H5'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.676 -3.024 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.464 HO2' " H5'" ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.504 -3.196 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.464 " H5'" HO2' ' A' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 98.986 -3.714 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.395 -3.305 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.903 -2.797 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.559 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 C4'-C3'-C2' 99.824 -2.876 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.59 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.205 -3.495 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.59 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 O4'-C1'-N19 111.59 3.39 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.309 -3.391 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 112.254 4.054 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 98.905 -3.795 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 1 C5'-C4'-C3' 108.572 -4.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 1 O4'-C1'-N19 112.223 4.023 . 0.293 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C5'-C4'-C3' 111.927 -2.382 . 0.871 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C5'-C4'-C3' 111.306 -2.796 . 0.721 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 N19-C1'-C2' 108.807 -2.87 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 100.071 -2.629 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 O4'-C1'-N19 112.242 4.042 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.559 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.195 -3.505 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.687 HO2' " H5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.076 -3.624 . 0.355 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.687 " H5'" HO2' ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.091 -3.609 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.448 -3.252 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.888 3.688 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.484 -3.216 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.528 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 C4'-C3'-C2' 99.158 -3.542 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.528 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.159 -3.541 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.44 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.23 -3.47 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.44 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.17 2.97 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 C5'-C4'-C3' 108.83 -4.447 . 0.851 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.109 -3.591 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.746 -3.954 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.42 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 C4'-C3'-C2' 98.336 -4.364 . 0.803 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.42 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 112.099 3.899 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.475 0.406 0 CA-C-O 119.643 -0.232 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -141.8 168.04 20.7 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.55 0.74 . . . . 0.0 109.838 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 2.54 3.92 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.157 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 54.63 13.47 0.69 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.39 1.076 . . . . 0.0 113.465 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -60.61 160.65 17.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 123.477 0.711 . . . . 0.0 110.741 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.44 -12.12 29.18 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.679 2.252 . . . . 0.0 111.224 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.53 -50.63 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.478 0.711 . . . . 0.0 110.009 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.81 -36.1 77.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.766 -0.159 . . . . 0.0 111.425 -176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mt -56.12 -53.99 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.06 -50.48 73.3 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.595 0.758 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -67.1 -5.7 14.4 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.71 0.804 . . . . 0.0 112.951 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.0 -32.92 6.43 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.619 0.645 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -74.25 -59.65 2.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -145.51 83.08 9.19 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 122.913 0.485 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.68 177.2 7.16 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.085 2.523 . . . . 0.0 109.968 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.18 50.66 0.53 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.98 -177.09 4.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.803 0.841 . . . . 0.0 110.564 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 50.5 mtmt -143.11 110.02 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.469 ' CG ' HG12 ' B' ' 79' ' ' VAL . 48.1 m-85 -84.18 156.06 22.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 121.621 0.724 . . . . 0.0 111.275 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -140.64 119.08 12.2 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.747 1.219 . . . . 0.0 108.617 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -82.89 139.53 33.38 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.78 159.21 25.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.501 0.72 . . . . 0.0 109.756 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.15 173.71 0.07 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -167.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 174.29 6.91 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.857 0.863 . . . . 0.0 112.319 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -158.66 174.82 14.46 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.301 1.04 . . . . 0.0 109.325 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -177.6 46.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.013 0.34 . . . . 0.0 112.662 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.62 179.98 3.9 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.749 1.219 . . . . 0.0 109.783 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.1 m -60.01 3.31 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -129.49 -0.33 4.99 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 111.746 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.52 11.44 0.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.358 0.663 . . . . 0.0 111.033 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -54.97 143.78 25.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.712 0.805 . . . . 0.0 111.652 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 p -142.83 155.25 44.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.499 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -139.12 161.71 36.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -134.88 153.89 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 117.954 -1.499 . . . . 0.0 110.426 177.24 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -138.57 134.28 33.62 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -130.82 169.63 15.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -174.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.469 HG12 ' CG ' ' B' ' 61' ' ' TYR . 0.7 OUTLIER -146.82 161.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.376 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.61 112.83 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 169.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -137.26 138.85 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.91 11.84 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.34 70.02 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -79.25 170.35 16.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -131.45 145.68 51.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 110.222 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -140.92 162.75 34.72 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.514 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -147.17 159.89 43.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.055 0.942 . . . . 0.0 108.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.12 100.72 0.16 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 43.0 t -78.69 160.02 27.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.477 0.639 . . . . 0.0 110.277 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.12 174.26 41.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.36 -15.83 61.36 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -153.82 170.97 19.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 109.801 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.93 -47.95 83.7 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 123.011 0.524 . . . . 0.0 111.959 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.89 -43.17 99.39 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 122.505 0.322 . . . . 0.0 111.295 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.07 -38.84 86.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.668 0.387 . . . . 0.0 110.135 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.36 76.39 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -63.75 -38.86 92.7 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 122.185 -0.322 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.87 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.326 0.512 . . . . 0.0 110.818 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -74.37 -54.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.968 0.507 . . . . 0.0 110.639 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.21 75.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.533 0.333 . . . . 0.0 111.73 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.48 68.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.495 0.318 . . . . 0.0 110.245 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -64.39 -36.07 82.96 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 65.0 m -70.22 -44.51 68.46 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.61 88.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.017 0.527 . . . . 0.0 110.146 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.48 -59.35 5.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.871 0.868 . . . . 0.0 109.396 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.15 -17.83 12.61 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.4 m -100.78 -57.77 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.423 0.556 . . . . 0.0 111.653 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -66.53 -30.91 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 122.573 0.349 . . . . 0.0 111.506 -174.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.6 m-30 -89.68 -8.7 51.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.956 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.21 19.1 4.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.454 0.701 . . . . 0.0 111.288 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.2 mt -131.32 108.85 9.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.84 1.256 . . . . 0.0 109.261 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -62.69 158.19 19.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.555 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.498 178.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.534 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.534 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 111.78 3.58 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.498 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.241 -3.459 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.498 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 99.048 -3.652 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.522 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.27 -3.43 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.522 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.344 -3.356 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.361 -3.339 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.496 " H5'" HO2' ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.506 -3.194 . 0.876 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.81 -2.89 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.673 -3.027 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.357 -3.343 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.533 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 98.872 -3.828 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.533 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.367 -3.333 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.599 -3.101 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.521 -3.179 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.488 HO2' " H5'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.379 -3.321 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.488 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.199 -3.501 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.439 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.19 -3.51 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 112.147 3.947 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.35 -3.35 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 O4'-C1'-N19 111.069 2.869 . 0.558 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.584 2.384 . 0.556 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C5'-C4'-C3' 111.76 -2.493 . 0.817 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C5'-C4'-C3' 110.934 -3.044 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.366 -3.334 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.496 " H5'" HO2' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C4'-C3'-C2' 99.491 -3.209 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.484 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.904 3.704 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.632 HO2' " H5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.028 -3.672 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.632 " H5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.111 -3.589 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.626 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 O4'-C1'-N19 111.866 3.666 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.626 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.574 -3.126 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.574 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 111.989 3.789 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 99.414 -3.286 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.575 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C4'-C3'-C2' 99.088 -3.612 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.608 HO2' " H5'" ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.02 -3.68 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.608 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.32 -3.38 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 111.103 2.903 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 108.916 -4.389 . 0.823 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 99.036 -3.664 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 98.915 -3.785 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.405 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C4'-C3'-C2' 98.431 -4.269 . 0.801 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 O4'-C1'-N19 112.15 3.95 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo . . . . . 0 N--CA 1.471 0.147 0 CA-C-O 120.547 0.144 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -69.7 -4.02 17.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.297 0.639 . . . . 0.0 112.465 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.85 -7.12 88.49 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.682 -0.51 . . . . 0.0 112.547 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.01 170.45 12.78 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 117.769 0.784 . . . . 0.0 110.545 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -147.23 138.03 12.82 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.01 -14.73 21.03 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.484 2.789 . . . . 0.0 112.979 -170.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.01 -46.0 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 118.455 0.57 . . . . 0.0 109.99 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.1 tpp -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.7 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 pt -62.71 -37.91 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.626 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.24 -50.43 73.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.74 -10.28 12.21 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.903 1.281 . . . . 0.0 112.659 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.61 -13.19 14.86 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.832 0.742 . . . . 0.0 111.668 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.1 tt -104.93 -38.82 6.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.596 0.18 . . . . 0.0 110.892 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -157.15 80.31 3.45 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 122.26 0.224 . . . . 0.0 110.809 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.13 178.29 6.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.147 2.565 . . . . 0.0 109.284 173.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 40.83 2.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.22 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.48 -176.91 3.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.323 1.049 . . . . 0.0 110.092 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.21 155.08 49.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CG ' HG11 ' B' ' 79' ' ' VAL . 34.4 m-85 -128.69 154.08 46.67 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -139.74 114.27 9.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.229 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.99 148.03 50.72 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.869 0.467 . . . . 0.0 110.165 175.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.44 161.23 30.85 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.798 0.839 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -49.59 172.54 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.377 2.271 . . . . 0.0 116.237 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 11.5 pt-20 -130.57 159.24 37.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 110.804 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 61.8 m -155.18 170.36 22.02 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.572 0.749 . . . . 0.0 110.448 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.41 37.26 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.892 0.758 . . . . 0.0 112.572 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -87.65 175.25 7.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.304 0.642 . . . . 0.0 110.073 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -62.72 -3.17 1.39 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -123.59 3.65 8.96 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.766 0.826 . . . . 0.0 111.197 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.86 11.85 1.83 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.133 0.973 . . . . 0.0 110.436 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -57.0 147.85 22.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.683 1.193 . . . . 0.0 111.69 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -146.02 161.3 40.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.097 0.559 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 32.8 m-85 -146.05 171.53 14.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.783 1.233 . . . . 0.0 108.272 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -147.56 160.14 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.332 175.385 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.2 mmm -128.99 158.63 38.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.732 1.213 . . . . 0.0 108.107 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -135.29 170.89 15.24 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.436 HG11 ' CG ' ' B' ' 61' ' ' TYR . 1.6 t -147.32 166.23 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.94 109.13 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.95 126.02 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.934 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 57.78 8.92 0.76 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.206 1.002 . . . . 0.0 112.896 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.1 -13.16 34.12 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.135 0.874 . . . . 0.0 111.819 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.9 173.55 12.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -133.81 145.94 50.21 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -141.41 167.59 21.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.581 0.352 . . . . 0.0 111.656 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.92 161.23 42.29 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.291 0.637 . . . . 0.0 109.919 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.75 120.06 0.74 Allowed Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 92.4 p -92.48 170.26 9.9 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 117.009 0.405 . . . . 0.0 110.902 177.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.37 172.08 43.36 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.56 -14.74 60.83 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 122.544 -0.386 . . . . 0.0 111.03 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -147.78 165.24 31.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.127 0.971 . . . . 0.0 109.449 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.85 -38.72 89.27 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . 0.46 ' HE3' ' OP2' ' A' ' 30' ' ' ' C' . 41.3 mtpt -69.27 -39.17 78.56 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-O 120.671 0.272 . . . . 0.0 110.888 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.98 -37.2 69.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.267 0.627 . . . . 0.0 110.002 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.23 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.751 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -64.23 -33.24 75.36 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 122.151 -0.343 . . . . 0.0 110.207 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.18 80.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.168 0.44 . . . . 0.0 110.988 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -71.28 -53.78 13.1 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.441 0.564 . . . . 0.0 110.516 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.07 79.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.314 0.246 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.04 63.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.126 0.57 . . . . 0.0 110.726 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -66.53 -36.22 82.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.152 -0.342 . . . . 0.0 110.25 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -66.58 -45.1 80.36 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.9 89.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.35 0.26 . . . . 0.0 110.452 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.87 -68.05 0.38 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.535 0.734 . . . . 0.0 109.854 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.42 -16.2 8.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -93.83 -60.25 1.8 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.724 0.693 . . . . 0.0 111.002 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.18 -28.29 43.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 O-C-N 122.3 -0.25 . . . . 0.0 111.21 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.9 m-30 -91.35 -0.32 57.63 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.521 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 54.9 14.13 0.86 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.745 1.218 . . . . 0.0 113.775 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 mt -118.5 -165.43 1.12 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.577 1.151 . . . . 0.0 110.418 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -136.96 162.07 34.28 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.307 -1.33 . . . . 0.0 110.503 179.842 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.741 -2.959 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 111.965 3.765 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 99.311 -3.389 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C4'-C3'-C2' 99.012 -3.688 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.216 -3.484 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.531 HO2' " H5'" ' A' ' 7' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.268 -3.432 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.531 " H5'" HO2' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.108 -3.592 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 O4'-C1'-N19 111.179 2.979 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.325 -3.375 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.414 HO2' " H5'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.531 -3.169 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.414 " H5'" HO2' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 99.582 -3.118 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . 0.556 HO2' " H5'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 98.822 -3.878 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.556 " H5'" HO2' ' A' ' 12' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.318 -3.382 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.407 HO2' " H5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.347 -3.353 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.407 " H5'" HO2' ' A' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.533 -3.167 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.058 -3.642 . 0.466 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.437 HO2' " H5'" ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.347 -3.353 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.437 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.417 -3.283 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.182 2.982 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 1 C5'-C4'-C3' 109.146 -4.236 . 0.693 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 C5'-C4'-C3' 108.652 -4.565 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 O4'-C1'-N19 112.804 4.604 . 0.28 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 O4'-C1'-N19 110.946 2.746 . 0.87 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C5'-C4'-C3' 109.971 -3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.866 -2.834 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.455 HO2' " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.579 -3.121 . 0.851 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.455 " H5'" HO2' ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 98.78 -3.92 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.417 " H5'" HO2' ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.165 -3.535 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 C5'-C4'-C3' 108.237 -4.842 . 0.327 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.654 HO2' " H5'" ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C4'-C3'-C2' 99.53 -3.17 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.654 " H5'" HO2' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.44 -3.26 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.172 -3.528 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 0 C4'-C3'-C2' 99.313 -3.387 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.568 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.177 -3.523 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.568 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.13 -3.57 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.559 " H5'" HO2' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 O4'-C1'-N19 111.783 3.583 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.401 HO2' " H5'" ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.184 -3.516 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . 0.523 HO2' " H5'" ' A' ' 39' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 98.927 -3.773 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . 0.523 " H5'" HO2' ' A' ' 38' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.0 -3.7 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . 0.411 HO2' " H5'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 98.773 -3.927 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.432 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 C4'-C3'-C2' 98.349 -4.351 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.432 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 112.151 3.951 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo . . . . . 0 N--CA 1.478 0.6 0 CA-C-O 120.09 -0.046 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -145.59 171.85 14.1 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.064 0.546 . . . . 0.0 110.084 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.25 2.49 11.46 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.569 0.604 . . . . 0.0 112.065 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 54.84 16.14 1.35 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.249 1.02 . . . . 0.0 112.836 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -60.66 161.61 14.2 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.812 0.845 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.403 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 71.7 Cg_endo -72.39 -9.17 23.86 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.981 2.454 . . . . 0.0 110.951 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.78 -44.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.37 -50.41 59.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.889 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.403 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.1 pt -57.07 -40.67 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 118.984 0.811 . . . . 0.0 110.68 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.72 -52.72 63.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.03 -4.83 3.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.486 1.115 . . . . 0.0 112.809 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.37 -13.88 13.84 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.929 0.492 . . . . 0.0 111.008 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -107.3 -34.75 7.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.565 0.346 . . . . 0.0 111.296 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -154.07 71.47 6.4 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 122.687 0.395 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.24 178.89 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.142 2.561 . . . . 0.0 109.406 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.35 54.78 2.48 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -174.92 3.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.85 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -140.52 101.77 4.18 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.482 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . 0.439 ' CG ' HG12 ' B' ' 79' ' ' VAL . 57.6 m-85 -81.85 151.32 27.39 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.202 0.525 . . . . 0.0 110.411 174.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -138.88 111.71 7.78 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.591 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.16 148.69 50.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.826 0.45 . . . . 0.0 109.957 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -128.65 156.11 43.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.052 0.941 . . . . 0.0 109.185 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -54.28 161.11 1.43 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -167.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . 0.41 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 7.8 pt-20 -81.65 173.03 12.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.053 1.341 . . . . 0.0 112.119 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -158.26 170.4 22.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.689 0.795 . . . . 0.0 110.037 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.94 176.85 38.45 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.472 1.034 . . . . 0.0 113.487 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -81.17 172.5 13.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.134 0.974 . . . . 0.0 110.257 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -66.32 -28.98 69.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -81.78 -6.39 59.02 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.48 22.28 1.66 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.003 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -51.44 141.11 16.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.013 0.925 . . . . 0.0 111.532 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -137.04 161.95 34.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.228 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.1 m-85 -146.45 175.26 10.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.935 1.294 . . . . 0.0 108.157 -176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -146.91 159.42 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.176 176.472 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.0 mmm -129.26 156.79 43.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.492 1.117 . . . . 0.0 108.091 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -133.8 168.6 18.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.439 HG12 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.65 162.25 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.133 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.91 110.13 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 170.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.9 t -126.81 120.19 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.207 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.89 5.08 0.46 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.606 1.163 . . . . 0.0 112.998 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.13 11.95 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.451 1.024 . . . . 0.0 112.113 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -76.59 171.04 15.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 117.619 0.71 . . . . 0.0 109.32 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.1 143.88 49.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -140.5 167.12 22.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.766 0.317 . . . . 0.0 111.668 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.77 161.5 39.79 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.881 0.872 . . . . 0.0 109.177 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.18 107.45 0.23 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.4 p -83.42 167.73 17.22 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.378 0.589 . . . . 0.0 110.507 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.38 171.53 44.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.48 -11.56 60.5 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -140.49 164.45 30.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -67.63 -28.66 67.92 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.794 173.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.39 -49.25 35.28 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.378 1.071 . . . . 0.0 110.044 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.72 -41.05 98.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.077 0.951 . . . . 0.0 109.605 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.55 93.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.626 0.37 . . . . 0.0 110.773 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -64.47 -34.84 79.14 Favored 'General case' 0 C--O 1.225 -0.234 0 O-C-N 122.155 -0.341 . . . . 0.0 110.534 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.64 -32.24 73.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.402 0.547 . . . . 0.0 110.506 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.63 -50.15 18.88 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.404 0.281 . . . . 0.0 110.96 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.85 81.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.96 70.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.577 0.351 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -62.66 -36.2 82.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.6 m -69.25 -44.73 71.34 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.64 80.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 110.79 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -64.35 -68.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 109.704 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.6 -48.77 28.13 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.5 m -65.98 -61.86 1.81 Allowed 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.06 0.391 . . . . 0.0 111.76 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.38 -24.76 29.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -171.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.6 m-30 -92.48 -3.98 54.34 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.111 -0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 59.11 25.88 14.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.636 0.775 . . . . 0.0 111.892 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.44 -168.62 1.91 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.205 1.002 . . . . 0.0 110.749 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' HIS . . . . . 0.496 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 36.9 t-80 -134.37 -179.97 5.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.511 0.724 . . . . 0.0 109.571 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . 0.496 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.426 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.532 HO2' " H5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.234 -3.466 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.532 " H5'" HO2' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.62 3.42 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ' U' . . . . . 0.493 HO2' " H5'" ' A' ' 4' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 99.263 -3.437 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ' A' . . . . . 0.493 " H5'" HO2' ' A' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.084 -3.616 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ' A' . . . . . 0.475 HO2' " H5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.405 -3.295 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.475 " H5'" HO2' ' A' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.278 -3.422 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ' G' . . . . . 0.447 " H5'" HO2' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 98.981 -3.719 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.569 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.451 -3.249 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.569 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.846 -2.854 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.86 -2.84 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.749 -2.951 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 98.968 -3.732 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.493 -3.207 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.447 HO2' " H5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.497 -3.203 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.616 HO2' " H5'" ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.672 -3.028 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ' A' . . . . . 0.616 " H5'" HO2' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.155 -3.545 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.589 " H5'" HO2' ' A' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.157 -3.543 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . 0.507 " H5'" HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.342 -3.358 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.431 " H5'" HO2' ' A' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.178 2.978 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 1 C5'-C4'-C3' 108.688 -4.542 . 0.628 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.975 2.775 . 0.712 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.503 " H1'" ' OP2' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-C3' 110.437 -3.376 OUTLIER-EPSILON 0.496 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.503 ' OP2' " H1'" ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.128 2 P-O3'-C3' 126.305 5.505 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C5'-C4'-C3' 110.733 -3.178 . 0.764 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.455 HO2' " H5'" ' A' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.376 -3.324 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ' A' . . . . . 0.455 " H5'" HO2' ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.563 -3.137 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 O4'-C1'-N19 112.234 4.034 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.549 HO2' " C5'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.393 -3.307 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.549 " C5'" HO2' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.396 -3.304 . 0.481 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 98.969 -3.731 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ' A' . . . . . 0.595 HO2' " H5'" ' A' ' 32' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 99.723 -2.977 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ' C' . . . . . 0.595 " H5'" HO2' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 O4'-C1'-N19 111.78 3.58 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.6 -3.1 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.534 HO2' " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C4'-C3'-C2' 99.215 -3.485 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.534 " H5'" HO2' ' A' ' 34' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.115 -3.585 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ' C' . . . . . 0.465 HO2' " H5'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.115 -3.585 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.465 " H5'" HO2' ' A' ' 36' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 O4'-C1'-N19 111.37 3.17 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-C3' 108.816 -4.456 . 0.596 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 C4'-C3'-C2' 99.045 -3.655 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.148 -3.552 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.436 HO2' " H5'" ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.525 -4.175 . 0.816 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ' C' . . . . . 0.436 " H5'" HO2' ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 112.177 3.977 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.7 Cg_endo . . . . . 0 N--CA 1.455 -0.754 0 N-CA-C 111.588 -0.197 . . . . 0.0 111.588 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.62 -50.69 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.07 0.548 . . . . 0.0 110.233 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.95 -36.4 83.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.305 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.6 mt -57.57 -54.63 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.72 -51.03 70.39 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.184 0.994 . . . . 0.0 109.696 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -65.4 -9.67 27.15 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.504 0.722 . . . . 0.0 112.747 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -107.05 -33.28 7.52 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.286 0.494 . . . . 0.0 110.841 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.0 tt -73.3 -50.84 19.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -153.46 84.84 4.23 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.573 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.46 177.81 6.32 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.139 2.559 . . . . 0.0 109.573 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.34 35.1 1.66 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 -178.36 4.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.88 0.872 . . . . 0.0 110.586 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -137.31 157.23 47.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 35.8 m-85 -130.36 154.09 48.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -138.93 110.92 7.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.225 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -71.79 146.26 48.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.47 158.31 37.72 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.655 0.782 . . . . 0.0 109.913 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -53.57 173.74 0.05 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.413 1.885 . . . . 0.0 115.366 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -117.31 170.48 8.67 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.16 0.984 . . . . 0.0 112.215 -175.231 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -151.02 172.25 16.02 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.092 0.957 . . . . 0.0 110.296 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.44 174.46 46.09 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 123.861 0.743 . . . . 0.0 113.026 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -81.99 173.66 11.99 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 -14.37 60.63 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -106.24 -0.3 24.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.991 0.516 . . . . 0.0 111.782 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.05 18.87 2.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.285 1.034 . . . . 0.0 109.616 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -56.57 152.45 11.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.443 1.097 . . . . 0.0 112.225 -171.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.2 p -144.84 158.37 43.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.585 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 41.0 m-85 -144.01 170.56 15.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.793 1.237 . . . . 0.0 108.358 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.2 OUTLIER -144.12 157.5 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.476 172.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpt -143.93 133.55 23.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -120.97 173.17 7.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.92 165.63 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.503 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.0 110.49 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.91 128.41 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 57.45 9.53 0.78 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.857 0.863 . . . . 0.0 112.75 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.53 -12.6 47.13 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.155 0.884 . . . . 0.0 111.667 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.2 174.17 11.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -134.19 145.86 49.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.21 164.38 30.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.774 0.43 . . . . 0.0 110.739 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -145.78 162.39 37.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.867 0.467 . . . . 0.0 109.833 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.18 111.27 0.36 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 76.3 p -86.15 171.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.315 0.557 . . . . 0.0 110.384 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.16 171.28 43.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -71.87 -17.69 62.1 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -147.69 171.05 16.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 109.685 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.27 -36.52 83.95 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.46 -41.03 80.77 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 118.077 0.399 . . . . 0.0 110.474 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -40.35 94.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.846 0.859 . . . . 0.0 109.704 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.26 48.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.37 0.268 . . . . 0.0 110.691 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -62.57 -33.39 74.86 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.94 89.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.485 0.584 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -69.48 -49.17 57.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.529 0.332 . . . . 0.0 110.703 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.73 84.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.021 0.529 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.17 73.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 122.112 0.165 . . . . 0.0 110.587 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -62.57 -39.21 92.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -67.0 -45.28 78.04 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.36 90.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.475 0.31 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.1 tt -63.04 -66.58 0.52 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.693 0.797 . . . . 0.0 109.433 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.14 60.38 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -71.72 -59.62 2.66 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.959 -0.463 . . . . 0.0 111.891 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.06 -30.31 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 117.833 0.288 . . . . 0.0 111.62 -174.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -88.64 -5.53 58.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.071 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 58.01 23.22 9.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.547 0.739 . . . . 0.0 112.218 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.34 -164.28 1.31 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.601 1.16 . . . . 0.0 109.963 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -137.95 162.09 34.97 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.342 -1.313 . . . . 0.0 110.467 179.399 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.44 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 72.9 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.386 -0.275 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -52.09 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 122.893 0.477 . . . . 0.0 110.651 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.97 -44.89 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.15 -38.27 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.293 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 52' ' ' LEU . 3.8 tt -61.61 -56.65 17.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.64 -0.7 2.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.893 0.877 . . . . 0.0 112.968 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -117.76 -9.68 10.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.31 0.505 . . . . 0.0 111.599 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -102.89 -42.73 5.74 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.979 0.354 . . . . 0.0 110.239 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.7 79.21 8.76 Favored Pre-proline 0 N--CA 1.455 -0.194 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.07 -177.7 3.67 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.92 3.08 . . . . 0.0 109.702 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.55 28.57 5.96 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.066 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.7 -171.79 2.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.58 0.752 . . . . 0.0 110.111 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' B' ' 60' ' ' LYS . 11.1 ptpt -150.43 151.53 32.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.492 ' CG ' HG13 ' B' ' 79' ' ' VAL . 30.3 m-85 -121.24 157.76 29.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.348 0.594 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.06 156.84 43.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.594 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.542 ' C ' HD22 ' B' ' 64' ' ' LEU . 19.1 t80 -116.83 127.11 53.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 175.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.542 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.5 mm? -115.13 161.66 18.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.447 -173.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -51.12 166.28 0.1 Allowed 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -165.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.53 170.0 8.9 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.976 0.911 . . . . 0.0 112.144 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -152.96 172.59 16.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.901 0.88 . . . . 0.0 110.431 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.62 174.34 49.2 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.976 0.798 . . . . 0.0 113.015 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.83 171.73 12.01 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.507 0.723 . . . . 0.0 109.893 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.5 m -62.21 -31.06 71.55 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -83.84 -4.64 58.83 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.78 19.57 1.82 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.502 0.721 . . . . 0.0 110.462 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -55.1 151.51 9.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.108 0.963 . . . . 0.0 111.756 -172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -142.21 159.2 42.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.242 0.617 . . . . 0.0 109.821 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.64 174.6 10.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.755 1.222 . . . . 0.0 108.508 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.17 154.73 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 118.803 -1.159 . . . . 0.0 110.747 172.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mmm -121.84 155.5 35.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 87' ' ' GLU . 59.1 m -136.88 170.36 16.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 172.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.492 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.2 t -148.34 163.42 5.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 121.965 -0.459 . . . . 0.0 110.025 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -134.72 112.13 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.31 129.29 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.645 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 22.2 t70 57.71 7.36 0.55 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.768 0.827 . . . . 0.0 112.453 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.18 -11.4 44.13 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.625 1.107 . . . . 0.0 111.918 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -78.41 171.15 15.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -131.78 142.53 49.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.94 164.99 28.52 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.785 0.434 . . . . 0.0 110.804 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HA ' ' B' ' 78' ' ' SER . 35.4 tt0 -148.8 159.92 43.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.434 1.094 . . . . 0.0 108.089 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.83 109.53 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -83.3 167.04 17.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.026 0.413 . . . . 0.0 111.488 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.94 171.97 44.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.92 -18.29 62.03 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 117.379 0.589 . . . . 0.0 111.436 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -147.54 169.0 20.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.693 0.797 . . . . 0.0 109.373 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -67.11 -25.52 66.25 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -72.38 -49.19 35.82 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.125 0.57 . . . . 0.0 109.642 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.0 -39.25 87.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.883 1.273 . . . . 0.0 109.952 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.22 78.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -63.47 -34.88 78.75 Favored 'General case' 0 C--N 1.34 0.193 0 O-C-N 121.95 -0.469 . . . . 0.0 110.704 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.8 70.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.239 0.472 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.99 -47.79 17.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.343 0.257 . . . . 0.0 110.951 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.92 84.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.529 0.332 . . . . 0.0 110.517 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.46 -37.41 68.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.859 0.464 . . . . 0.0 110.756 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -63.66 -38.92 92.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -66.39 -45.78 78.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.52 83.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.331 0.252 . . . . 0.0 111.11 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.431 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.3 tt -66.03 -66.89 0.49 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.261 0.624 . . . . 0.0 109.575 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.24 -43.42 52.96 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -70.96 -58.86 3.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.021 -0.424 . . . . 0.0 111.801 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.42 -28.7 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.712 0.233 . . . . 0.0 111.385 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.4 m-30 -92.22 -4.77 53.64 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.949 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m120 58.68 24.49 12.22 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.471 0.708 . . . . 0.0 111.98 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.44 -168.31 1.82 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.108 0.963 . . . . 0.0 110.759 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' HIS . . . . . 0.48 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -131.95 -178.78 5.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 0.0 110.094 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.48 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.402 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' B' ' 51' ' ' ILE . 82.2 Cg_endo . . . . . 0 N--CA 1.456 -0.732 0 CA-C-O 119.947 -0.105 . . . . 0.0 112.128 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.27 -50.74 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.432 0.293 . . . . 0.0 110.417 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.85 -32.24 70.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.342 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.3 mt -58.3 -53.49 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.87 -49.66 72.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.22 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -70.7 -2.04 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -110.61 -26.47 9.43 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 119.141 0.882 . . . . 0.0 110.279 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 109' ' ' PHE . 1.3 tt -82.35 -58.02 3.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -145.42 81.48 10.24 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 123.195 0.598 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.39 179.34 5.16 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.238 2.625 . . . . 0.0 110.021 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 54.63 0.8 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.93 -174.87 3.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 110.369 -176.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.2 mtmt -143.74 109.07 5.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.835 0.454 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.478 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -86.01 152.95 22.5 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.202 0.525 . . . . 0.0 111.165 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -141.13 113.99 8.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.335 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -68.85 148.42 50.28 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.06 0.544 . . . . 0.0 110.254 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.32 160.33 34.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.892 0.877 . . . . 0.0 110.045 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.7 m -53.09 175.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.979 2.111 . . . . 0.0 115.573 -168.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.421 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -113.64 172.39 7.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.226 1.01 . . . . 0.0 112.497 -174.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.7 m -154.33 174.38 14.91 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.617 1.167 . . . . 0.0 110.063 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.41 176.06 44.11 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.751 0.691 . . . . 0.0 113.267 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.44 171.04 12.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.451 0.7 . . . . 0.0 109.965 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.1 m -63.31 -28.9 70.32 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -84.83 -7.61 59.12 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.28 22.24 2.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.824 0.849 . . . . 0.0 110.078 -177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -55.11 153.79 6.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 111.632 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.9 p -141.39 159.65 41.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.203 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 30.6 m-85 -145.19 173.19 12.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.923 1.289 . . . . 0.0 107.714 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.3 OUTLIER -147.01 159.08 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.202 176.103 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.3 mmm -127.46 155.91 42.96 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 91.6 p -132.98 169.23 17.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.2 160.38 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.939 179.435 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.7 t -132.48 109.76 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.57 137.53 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.06 10.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.07 0.548 . . . . 0.0 112.433 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.86 -11.23 68.1 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.802 0.715 . . . . 0.0 111.406 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.51 169.27 18.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -132.09 144.45 50.74 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.0 167.26 22.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.824 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -147.04 161.98 39.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.909 0.883 . . . . 0.0 109.351 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.63 113.46 0.42 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 77.4 p -86.7 170.59 11.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.198 0.499 . . . . 0.0 110.98 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.43 172.55 44.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -70.58 -22.91 62.52 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.206 0.503 . . . . 0.0 111.522 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -143.33 168.21 20.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.99 0.916 . . . . 0.0 108.787 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -63.9 -30.13 71.25 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -77.23 -40.15 45.94 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.175 0.443 . . . . 0.0 110.624 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.96 -39.24 87.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.599 0.76 . . . . 0.0 109.052 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.56 92.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.834 0.454 . . . . 0.0 110.83 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -64.11 -35.02 79.38 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 122.091 -0.381 . . . . 0.0 110.624 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.37 72.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.311 0.505 . . . . 0.0 110.448 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -74.01 -53.2 10.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.389 0.276 . . . . 0.0 110.658 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.99 85.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.981 0.512 . . . . 0.0 111.117 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.52 70.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.645 0.378 . . . . 0.0 110.794 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.95 -38.5 88.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.041 -0.412 . . . . 0.0 110.058 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -66.01 -43.68 86.99 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 118.094 0.406 . . . . 0.0 110.092 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.28 92.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.768 0.427 . . . . 0.0 110.414 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.41 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.9 tt -60.71 -65.19 0.73 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.941 0.896 . . . . 0.0 109.9 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.15 21.46 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 88.8 m -93.76 -58.38 2.28 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.731 0.696 . . . . 0.0 111.064 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.49 -27.51 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 122.804 0.442 . . . . 0.0 111.152 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' B' ' 55' ' ' LEU . 3.7 m-30 -94.89 -5.68 44.38 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.214 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.6 m120 58.81 21.95 9.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.554 0.742 . . . . 0.0 112.433 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.59 -167.7 1.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.899 0.88 . . . . 0.0 110.803 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 32.1 t-80 -130.37 -178.03 4.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.382 0.673 . . . . 0.0 110.135 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.499 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.085 -1.436 . . . . 0.0 110.404 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' B' ' 51' ' ' ILE . 57.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.659 -0.554 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.76 -49.17 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.148 0.579 . . . . 0.0 109.918 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -71.11 -33.69 70.39 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 119.24 -0.41 . . . . 0.0 111.773 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 56.6 mt -59.56 -54.09 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.16 -50.17 74.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.689 0.796 . . . . 0.0 109.688 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -65.22 -10.28 30.46 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.459 0.704 . . . . 0.0 112.637 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -106.77 -30.18 9.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.508 0.595 . . . . 0.0 111.045 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.1 tt -79.71 -48.32 13.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.424 -0.173 . . . . 0.0 110.823 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -152.41 80.33 5.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -71.94 -179.69 4.08 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.508 2.806 . . . . 0.0 110.336 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.91 56.08 1.26 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.22 -171.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.826 1.251 . . . . 0.0 109.572 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -143.99 104.24 4.12 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.591 0.356 . . . . 0.0 111.538 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.455 ' CG ' HG13 ' B' ' 79' ' ' VAL . 54.4 m-85 -82.19 150.9 27.15 Favored 'General case' 0 N--CA 1.458 -0.056 0 CA-C-O 121.247 0.546 . . . . 0.0 110.916 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -141.28 112.78 7.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.265 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -68.49 148.4 50.64 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 122.961 0.505 . . . . 0.0 110.141 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.54 159.99 35.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.028 0.931 . . . . 0.0 109.973 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -52.88 174.74 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.968 2.107 . . . . 0.0 115.739 -168.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -119.16 173.5 6.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.328 1.051 . . . . 0.0 112.554 -175.039 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.2 t -160.79 176.33 11.61 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.882 0.873 . . . . 0.0 109.94 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.0 174.75 50.46 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.031 0.824 . . . . 0.0 113.544 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.93 173.86 12.11 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.33 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.0 m -68.84 -9.37 50.99 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -114.0 -3.15 13.37 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.323 0.649 . . . . 0.0 111.578 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.56 17.84 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.37 1.068 . . . . 0.0 109.461 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -55.36 152.05 9.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.405 1.082 . . . . 0.0 111.436 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p -141.38 157.92 44.55 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 40.5 m-85 -144.11 172.43 12.9 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.202 1.401 . . . . 0.0 107.358 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -147.95 156.98 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 118.198 -1.401 . . . . 0.0 111.26 175.278 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mmm -124.89 155.15 39.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 174.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 93.7 p -132.81 169.05 17.3 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.84 159.51 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.26 109.46 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.403 HG13 HG21 ' B' ' 108' ' ' VAL . 2.3 p -133.6 137.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.25 11.15 0.73 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.462 0.705 . . . . 0.0 112.567 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.28 -10.93 65.5 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 123.901 0.762 . . . . 0.0 111.637 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.0 169.45 17.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.59 143.86 50.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.673 0.389 . . . . 0.0 110.088 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.35 166.75 23.71 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.57 0.348 . . . . 0.0 111.751 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -147.04 162.56 38.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.765 0.826 . . . . 0.0 109.334 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 108.16 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 80.7 p -85.67 166.81 15.87 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 117.291 0.545 . . . . 0.0 110.892 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.77 173.07 43.93 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -72.23 -15.52 61.93 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 117.185 0.492 . . . . 0.0 112.061 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -152.47 166.94 30.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.271 1.028 . . . . 0.0 109.451 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.23 -38.69 87.56 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.6 -43.07 81.38 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 122.533 0.333 . . . . 0.0 110.744 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.76 -40.08 79.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.458 0.703 . . . . 0.0 109.977 -178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.06 93.69 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 111.132 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.15 -35.7 81.92 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.021 -0.425 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.55 71.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.256 0.48 . . . . 0.0 110.46 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -74.91 -51.44 13.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.412 0.285 . . . . 0.0 110.986 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.72 88.59 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.692 0.397 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -36.0 70.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.634 0.373 . . . . 0.0 110.781 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -66.58 -35.71 80.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -68.71 -44.88 72.98 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.68 86.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.901 0.48 . . . . 0.0 110.271 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.433 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.7 tt -61.53 -65.01 0.76 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.859 . . . . 0.0 109.834 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.87 -12.24 4.22 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -101.08 -58.42 1.89 Allowed 'General case' 0 N--CA 1.458 -0.04 0 CA-C-N 118.797 0.726 . . . . 0.0 111.195 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 HG13 ' B' ' 81' ' ' VAL . 60.8 t -66.22 -27.88 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.498 0.319 . . . . 0.0 111.364 -175.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -92.75 -5.21 51.7 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.379 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 58.67 20.4 7.72 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.544 0.738 . . . . 0.0 112.23 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.66 -164.22 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.489 1.116 . . . . 0.0 110.179 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -138.47 162.16 35.2 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.477 179.286 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 60.5 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.746 -0.521 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.04 -47.93 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.236 0.614 . . . . 0.0 110.052 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 9.0 mmt -69.98 -54.15 14.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.582 0.353 . . . . 0.0 111.638 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 13.8 pt -56.64 -29.67 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.466 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -69.37 -54.55 13.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -68.17 8.0 0.49 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.097 1.359 . . . . 0.0 112.719 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.13 -35.56 3.44 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 9.8 mt -63.66 -57.87 8.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.018 0.927 . . . . 0.0 109.558 174.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -157.55 95.06 2.08 Favored Pre-proline 0 N--CA 1.452 -0.351 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -72.34 176.87 8.03 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.185 2.59 . . . . 0.0 110.201 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.46 61.89 0.69 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -177.16 4.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.125 0.97 . . . . 0.0 110.42 -178.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 39.8 mtmt -140.92 104.65 4.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.474 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.4 m-85 -83.15 152.99 25.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.252 0.549 . . . . 0.0 110.646 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.07 112.13 7.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.956 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -68.64 147.72 51.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.858 0.463 . . . . 0.0 110.152 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.57 159.83 35.14 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.82 0.848 . . . . 0.0 109.706 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.7 p -53.82 175.38 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.504 1.922 . . . . 0.0 115.49 -168.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.39 173.04 7.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.898 0.879 . . . . 0.0 112.277 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.0 p -160.76 175.57 12.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 110.607 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.96 173.0 48.69 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 123.874 0.75 . . . . 0.0 112.923 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -78.47 175.29 10.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.477 0.711 . . . . 0.0 110.257 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m -64.83 -33.14 75.3 Favored 'General case' 0 CA--C 1.527 0.07 0 O-C-N 121.925 -0.484 . . . . 0.0 112.245 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -84.79 -4.48 59.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.308 0.643 . . . . 0.0 112.453 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 19.99 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.265 0.626 . . . . 0.0 110.664 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -55.36 147.37 17.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.679 0.792 . . . . 0.0 111.186 -174.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m -140.6 158.58 43.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.162 0.585 . . . . 0.0 109.962 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.5 m-85 -142.9 174.78 10.36 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.036 1.335 . . . . 0.0 107.965 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.34 158.64 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 118.464 -1.294 . . . . 0.0 111.512 174.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.7 mmm -127.48 157.04 41.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.0 p -134.0 168.98 17.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 168.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.05 161.95 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.07 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.34 109.42 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 171.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.19 127.62 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.19 8.44 0.56 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.052 0.941 . . . . 0.0 112.916 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 -12.49 37.98 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.167 0.889 . . . . 0.0 111.84 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.73 173.29 12.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -133.39 145.36 50.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -141.25 166.59 24.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.524 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -145.92 161.74 39.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.677 0.791 . . . . 0.0 109.37 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.88 107.23 0.23 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.2 p -83.64 166.94 17.73 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.413 0.607 . . . . 0.0 110.716 175.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.55 172.11 42.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.29 -22.71 63.78 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 117.178 0.489 . . . . 0.0 111.637 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -145.79 172.35 13.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.67 -41.03 94.26 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -71.85 -41.25 68.32 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 122.983 0.513 . . . . 0.0 111.374 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.71 -40.11 88.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.971 0.508 . . . . 0.0 109.741 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.35 93.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.627 0.371 . . . . 0.0 110.784 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.42 -36.94 85.8 Favored 'General case' 0 C--O 1.226 -0.171 0 O-C-N 122.159 -0.338 . . . . 0.0 110.46 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.99 0.359 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.64 -51.75 10.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.188 0.195 . . . . 0.0 110.595 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.16 86.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.543 0.337 . . . . 0.0 110.815 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.8 65.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.865 0.466 . . . . 0.0 110.742 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -69.41 -41.0 76.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.0 m -65.72 -42.81 90.62 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.79 78.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.588 0.355 . . . . 0.0 110.332 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.82 -49.76 67.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.438 -0.164 . . . . 0.0 110.588 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -18.22 40.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.0 m -103.47 -52.51 2.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.17 0.441 . . . . 0.0 111.807 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.6 -16.56 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 81.0 m-85 -118.88 -3.22 10.75 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.92 19.1 5.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.296 0.638 . . . . 0.0 112.067 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.1 mt -121.62 97.63 5.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.286 1.034 . . . . 0.0 109.452 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.21 151.67 26.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.823 -178.42 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.4 Cg_endo . . . . . 0 N--CA 1.449 -1.107 0 CA-C-O 119.738 -0.193 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.8 -47.68 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.1 tpp -72.53 -46.29 55.27 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.904 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 5.7 pt -61.3 -37.58 77.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.125 0 CA-C-N 118.891 0.769 . . . . 0.0 111.088 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.69 -50.26 74.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.48 -9.13 31.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.45 1.1 . . . . 0.0 113.163 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.95 -17.37 14.21 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.508 0.594 . . . . 0.0 111.331 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -97.75 -44.36 6.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -155.53 79.63 4.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.4 177.28 6.19 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.371 2.714 . . . . 0.0 110.542 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.13 59.49 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.88 -175.98 4.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.151 0.981 . . . . 0.0 110.365 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -138.24 149.28 45.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.448 ' CG ' HG13 ' B' ' 79' ' ' VAL . 36.5 m-85 -126.79 153.59 45.39 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -140.7 112.8 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.335 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.44 148.06 51.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.772 0.429 . . . . 0.0 110.028 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -130.37 160.34 34.28 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.72 0.808 . . . . 0.0 109.97 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -51.87 174.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 127.073 2.149 . . . . 0.0 115.656 -168.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -118.0 174.98 5.89 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.122 0.969 . . . . 0.0 112.462 -174.812 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.58 173.88 16.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.99 0.916 . . . . 0.0 110.015 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.63 52.15 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 123.166 0.412 . . . . 0.0 112.4 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -100.61 174.95 5.84 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.938 0.895 . . . . 0.0 110.185 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -0.54 0.64 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -119.6 -0.07 10.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.779 0.718 . . . . 0.0 111.546 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.35 15.44 1.3 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.104 0.962 . . . . 0.0 110.11 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -55.22 146.84 17.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.538 1.135 . . . . 0.0 112.017 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -142.25 159.2 42.69 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.383 0.673 . . . . 0.0 109.917 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 28.5 m-85 -143.61 174.0 11.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.156 1.383 . . . . 0.0 108.197 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -147.32 159.26 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.349 175.191 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.8 mmm -127.32 157.4 40.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.784 1.234 . . . . 0.0 108.133 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -134.18 170.3 15.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 168.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.5 t -147.69 164.89 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.14 108.9 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.2 125.64 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.782 -174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 7.4 t70 60.69 5.32 0.9 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.192 0.997 . . . . 0.0 112.821 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.73 -13.0 29.89 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.218 0.913 . . . . 0.0 111.675 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.81 173.63 12.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -133.36 145.85 50.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.79 166.99 23.22 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.599 0.36 . . . . 0.0 111.538 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.34 161.0 41.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.611 0.765 . . . . 0.0 109.731 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.09 116.65 0.58 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.3 p -93.39 167.89 11.43 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 117.173 0.486 . . . . 0.0 111.219 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.3 170.77 43.94 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.38 -16.39 62.96 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -147.75 169.53 19.54 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LYS . . . . . 0.573 ' H ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -66.82 -25.88 66.66 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -175.766 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.6 -49.25 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.633 0.652 . . . . 0.0 110.259 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.33 -39.03 93.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.985 0.914 . . . . 0.0 109.628 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.25 74.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.746 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -64.13 -34.63 78.5 Favored 'General case' 0 C--O 1.225 -0.213 0 O-C-N 122.037 -0.414 . . . . 0.0 110.508 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.63 74.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.299 0.499 . . . . 0.0 110.444 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -75.12 -47.42 28.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.531 0.332 . . . . 0.0 110.779 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.823 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.86 68.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.223 0.609 . . . . 0.0 110.693 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -66.36 -38.23 87.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -67.18 -43.99 80.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.375 0.27 . . . . 0.0 110.484 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.88 -60.39 3.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.528 0.731 . . . . 0.0 109.869 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.1 19.0 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 98.2 m -99.86 -53.33 3.19 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 118.536 0.607 . . . . 0.0 111.866 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.47 -31.99 55.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 118.114 0.416 . . . . 0.0 111.195 -176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -90.59 -9.83 45.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.097 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.4 m120 57.65 19.4 5.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.359 0.663 . . . . 0.0 111.64 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.4 109.09 10.79 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 124.548 1.139 . . . . 0.0 109.619 -177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.81 159.72 15.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.647 -1.168 . . . . 0.0 111.157 179.723 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.505 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.4 Cg_endo . . . . . 0 N--CA 1.455 -0.753 0 N-CA-C 111.231 -0.334 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.39 -54.56 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.714 0.806 . . . . 0.0 110.332 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.7 ttm -69.44 -30.32 68.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.017 0.376 . . . . 0.0 112.017 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' B' ' 48' ' ' PRO . 52.8 mt -58.98 -52.73 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.74 -49.54 74.92 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.329 1.052 . . . . 0.0 109.657 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -68.67 -5.83 22.52 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -103.94 -37.29 7.45 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.04 0.836 . . . . 0.0 110.23 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.5 tt -73.31 -49.36 27.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.419 0.288 . . . . 0.0 110.891 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -153.65 78.21 5.65 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.7 174.24 10.62 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.113 2.542 . . . . 0.0 110.017 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.19 51.73 0.81 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.05 -177.85 4.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.998 0.919 . . . . 0.0 110.801 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -140.95 105.45 4.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.496 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -84.41 154.95 22.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.265 0.555 . . . . 0.0 110.821 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.12 161.28 37.19 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.531 170.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -118.7 139.09 52.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.94 158.94 29.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.38 0.672 . . . . 0.0 109.957 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -54.35 172.05 0.1 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 126.021 1.728 . . . . 0.0 115.463 -167.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.87 175.88 5.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 112.425 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -149.53 169.07 21.78 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.245 1.018 . . . . 0.0 109.069 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.92 174.18 46.73 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.28 75.38 1.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.992 0.517 . . . . 0.0 110.762 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 44.5 m 63.72 -0.36 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.972 1.309 . . . . 0.0 113.208 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -138.09 151.06 47.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 47.92 20.19 0.22 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.85 0.46 . . . . 0.0 111.701 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -57.87 147.74 27.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 110.395 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 83.5 p -145.25 158.98 43.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -144.36 170.59 15.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.342 1.457 . . . . 0.0 107.525 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.13 157.54 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 118.378 -1.329 . . . . 0.0 111.537 175.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mmm -126.31 156.71 39.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.857 1.263 . . . . 0.0 107.867 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -130.86 170.41 14.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.496 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.4 161.92 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.217 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.49 110.23 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.18 127.01 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.681 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t70 57.1 8.94 0.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.882 0.873 . . . . 0.0 112.894 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.56 -12.67 39.26 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.12 0.867 . . . . 0.0 111.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.29 172.78 13.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -133.75 144.68 49.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.93 166.36 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.686 0.395 . . . . 0.0 111.545 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.42 162.62 37.84 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.572 0.749 . . . . 0.0 109.422 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.86 110.71 0.32 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 82.2 p -90.38 166.04 13.51 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.194 0.497 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.68 171.68 43.84 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -73.8 -13.19 60.9 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 117.337 0.568 . . . . 0.0 112.504 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -147.86 170.26 18.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.731 0.813 . . . . 0.0 109.359 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.9 -32.77 74.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -67.63 -51.61 47.98 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 123.568 0.747 . . . . 0.0 110.724 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.47 -39.5 94.62 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.428 1.091 . . . . 0.0 109.671 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.38 85.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.936 0.494 . . . . 0.0 111.109 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -65.39 -40.37 93.38 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 122.034 -0.416 . . . . 0.0 110.52 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.12 71.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.045 0.384 . . . . 0.0 110.591 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.6 -54.15 8.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.767 0.427 . . . . 0.0 110.758 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.22 77.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.592 0.357 . . . . 0.0 110.984 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.73 71.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.134 0.574 . . . . 0.0 110.529 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.55 -36.56 84.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -66.14 -45.92 79.32 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.087 0.403 . . . . 0.0 110.058 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.43 89.15 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.404 0.281 . . . . 0.0 110.531 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.426 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.9 tt -62.18 -65.8 0.63 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 109.626 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.34 -11.41 4.18 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -100.92 -58.39 1.9 Allowed 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.744 0.702 . . . . 0.0 111.063 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.54 -29.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.663 0.211 . . . . 0.0 111.107 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -89.86 -5.37 56.9 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.448 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.27 20.21 6.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.408 0.683 . . . . 0.0 112.343 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.3 -164.94 1.22 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.51 1.124 . . . . 0.0 110.096 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -137.69 161.83 35.46 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.276 -1.345 . . . . 0.0 110.528 179.3 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.447 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 81.2 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 N-CA-C 110.633 -0.564 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.57 -49.97 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.466 0.706 . . . . 0.0 110.673 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 34.8 mtp -74.64 -41.44 60.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.922 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.5 -33.58 51.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.406 HD23 ' C ' ' B' ' 52' ' ' LEU . 4.7 tt -63.49 -57.51 9.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -64.0 -0.44 1.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.954 1.302 . . . . 0.0 113.796 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -120.99 -14.61 8.42 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.894 0.77 . . . . 0.0 111.876 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -93.44 -51.26 5.05 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -153.81 81.95 4.66 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.98 174.38 8.92 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.947 2.431 . . . . 0.0 109.499 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.04 49.32 0.3 Allowed Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' B' ' 61' ' ' TYR . 0.4 OUTLIER -128.96 -177.8 4.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.648 0.779 . . . . 0.0 109.67 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 52.4 mtmt -147.04 99.89 3.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.333 0.653 . . . . 0.0 110.126 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.46 ' CE1' HD22 ' B' ' 59' ' ' LEU . 73.6 m-85 -77.69 154.25 32.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.674 0.75 . . . . 0.0 111.886 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -137.14 163.81 29.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.071 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -122.57 137.93 54.74 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.05 158.5 29.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.391 0.676 . . . . 0.0 110.121 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.5 m -54.53 170.62 0.15 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.746 1.618 . . . . 0.0 115.177 -166.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.22 174.19 6.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.971 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -157.6 173.49 16.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.507 0.723 . . . . 0.0 110.203 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.56 175.71 50.46 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.68 0.657 . . . . 0.0 112.727 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.44 174.79 9.78 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.523 0.729 . . . . 0.0 110.506 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m -65.07 -5.97 7.75 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -118.36 0.56 11.69 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.5 0.72 . . . . 0.0 111.646 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.68 16.84 2.17 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.301 1.04 . . . . 0.0 109.599 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -58.07 150.97 19.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.743 1.217 . . . . 0.0 112.179 -172.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -142.37 157.38 44.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.16 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -142.26 169.92 16.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.869 1.268 . . . . 0.0 107.736 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.24 157.09 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 118.341 -1.344 . . . . 0.0 111.067 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.42 154.73 43.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.833 1.253 . . . . 0.0 107.705 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.0 p -129.63 169.98 14.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.3 t -145.39 153.1 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.45 99.02 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.601 HG12 ' H ' ' B' ' 82' ' ' ASP . 3.2 t -77.16 -133.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.158 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ASP . . . . . 0.601 ' H ' HG12 ' B' ' 81' ' ' VAL . 38.8 t70 -49.79 -5.37 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.328 2.251 . . . . 0.0 113.417 172.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 141.08 -14.55 2.81 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.291 0.948 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.94 165.41 23.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -125.67 143.86 50.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.724 0.409 . . . . 0.0 110.097 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -141.68 165.74 26.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.08 162.51 39.24 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.182 0.593 . . . . 0.0 109.866 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.72 116.29 0.58 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -98.78 160.55 14.19 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.264 0.532 . . . . 0.0 110.25 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.95 169.04 41.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ptm85 -70.3 -14.4 62.57 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.17 166.94 23.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.631 0.772 . . . . 0.0 108.932 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.12 -27.53 67.4 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -70.44 -50.83 34.2 Favored 'General case' 0 C--N 1.337 0.054 0 CA-C-N 118.176 0.444 . . . . 0.0 110.506 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.97 -39.83 95.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.482 1.113 . . . . 0.0 109.709 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.6 79.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.821 0.448 . . . . 0.0 110.844 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.36 -39.48 89.18 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 122.167 -0.333 . . . . 0.0 110.728 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.61 73.55 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.266 0.485 . . . . 0.0 110.796 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -71.38 -49.97 36.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.093 0.557 . . . . 0.0 110.928 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.4 72.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.708 0.403 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.71 -39.57 66.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.142 0.577 . . . . 0.0 110.791 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -62.35 -37.66 86.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 63.9 m -68.5 -44.37 74.83 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.92 88.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.961 0.504 . . . . 0.0 110.879 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.2 tt -63.6 -69.99 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.578 0.751 . . . . 0.0 109.757 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.85 -48.43 21.0 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.7 m -67.77 -58.18 5.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.95 -29.07 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 118.089 0.404 . . . . 0.0 111.397 -175.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.4 m-30 -87.65 -5.22 58.81 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.99 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 m120 58.41 25.14 12.55 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.67 0.788 . . . . 0.0 111.978 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -127.19 -167.34 1.72 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.208 1.003 . . . . 0.0 110.581 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' HIS . . . . . 0.462 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -134.0 -179.53 5.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.347 0.659 . . . . 0.0 109.859 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.462 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 23.8 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.217 -1.373 . . . . 0.0 110.507 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' B' ' 51' ' ' ILE . 98.0 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 113.608 0.58 . . . . 0.0 113.608 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -49.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 118.392 0.542 . . . . 0.0 111.108 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -38.82 87.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.94 0.336 . . . . 0.0 111.347 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.7 mt -55.45 -51.42 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.51 -41.33 96.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 122.995 0.518 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.45 -2.47 3.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.861 0.464 . . . . 0.0 111.176 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -120.96 -14.68 8.41 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.21 -0.306 . . . . 0.0 110.44 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.771 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.5 OUTLIER -89.22 -37.18 15.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -165.91 86.87 0.93 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 123.876 0.87 . . . . 0.0 109.829 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -73.99 0.79 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.871 3.047 . . . . 0.0 113.769 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 67.83 3.51 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 118.375 0.534 . . . . 0.0 112.309 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.7 -174.87 4.09 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.288 0.635 . . . . 0.0 111.432 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.7 mtmt -145.04 111.32 5.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.845 0.858 . . . . 0.0 110.342 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.475 ' CG ' HG13 ' B' ' 79' ' ' VAL . 44.5 m-85 -85.52 154.25 21.89 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 121.301 0.572 . . . . 0.0 111.08 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.58 111.27 6.56 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.996 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.4 147.79 51.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.875 0.47 . . . . 0.0 110.025 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.34 157.85 40.75 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.554 0.742 . . . . 0.0 110.191 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -52.74 173.79 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.904 2.081 . . . . 0.0 115.619 -168.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 174.03 6.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.51 1.124 . . . . 0.0 112.161 -175.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.4 t -157.37 175.07 14.48 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.616 0.766 . . . . 0.0 110.065 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.95 176.46 43.7 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.872 0.748 . . . . 0.0 113.014 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.49 172.45 13.49 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.26 0.624 . . . . 0.0 110.229 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -66.58 -11.64 54.09 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -109.26 -1.26 18.72 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.162 0.585 . . . . 0.0 111.774 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.73 19.53 2.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.375 1.07 . . . . 0.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -56.77 155.31 7.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.844 1.258 . . . . 0.0 112.182 -171.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 79.8 p -142.62 159.51 42.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.204 0.602 . . . . 0.0 109.951 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -146.4 170.4 16.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.935 1.294 . . . . 0.0 108.079 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.56 157.13 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.026 175.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.8 mmm -125.34 155.3 40.49 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -133.87 169.34 17.22 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.475 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -145.89 158.4 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.648 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -130.94 111.3 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.433 HG13 HG21 ' B' ' 108' ' ' VAL . 2.5 p -136.08 137.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.21 11.29 0.75 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.26 0.624 . . . . 0.0 112.628 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.36 -11.37 68.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.723 0.678 . . . . 0.0 111.423 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.13 170.6 16.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -133.1 143.94 49.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -138.34 166.16 24.94 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.617 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -147.09 162.93 37.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 109.444 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.29 107.87 0.25 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.1 p -90.37 164.92 14.13 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.34 0.57 . . . . 0.0 110.922 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.67 171.32 42.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -75.81 -9.63 58.76 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 117.523 0.661 . . . . 0.0 111.933 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.6 160.32 43.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.625 1.17 . . . . 0.0 109.024 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.99 -30.86 71.09 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.75 -45.81 77.39 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.056 0.543 . . . . 0.0 110.379 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.25 -39.6 82.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.04 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.3 0.64 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -65.42 -38.62 90.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 122.123 -0.361 . . . . 0.0 110.771 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.74 73.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.24 0.473 . . . . 0.0 110.755 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.28 -51.95 18.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.241 0.616 . . . . 0.0 111.061 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.1 79.53 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.676 0.39 . . . . 0.0 111.031 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.97 70.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.99 0.516 . . . . 0.0 110.873 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -65.66 -36.47 83.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.95 -0.469 . . . . 0.0 110.009 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -65.97 -43.35 88.12 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.34 71.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.6 tm? -70.56 -62.6 1.33 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.25 -10.85 17.56 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -174.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.6 m -101.45 -62.93 1.19 Allowed 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.95 0.795 . . . . 0.0 111.955 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.433 HG21 HG13 ' B' ' 81' ' ' VAL . 54.5 t -62.19 -31.53 51.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.031 0 C-N-CA 122.551 0.34 . . . . 0.0 111.715 -173.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.771 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 18.9 m-85 -90.58 -4.61 56.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.778 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.6 m120 58.84 18.96 6.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.535 0.734 . . . . 0.0 111.928 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.03 -162.78 0.92 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.381 1.073 . . . . 0.0 110.307 -177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -134.26 161.37 35.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.408 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 93.0 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 CA-C-O 119.985 -0.09 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.81 -53.44 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 122.275 0.23 . . . . 0.0 110.549 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 tpp -73.85 -39.63 63.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.728 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.42 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 10.3 pt -61.18 -38.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.242 0.928 . . . . 0.0 110.677 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.41 HD23 ' C ' ' B' ' 52' ' ' LEU . 5.3 tt -59.87 -51.97 67.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.6 -4.06 7.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.146 0.978 . . . . 0.0 113.024 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -108.18 -18.77 13.69 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.01 0.524 . . . . 0.0 111.027 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -101.02 -36.59 8.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.367 0.267 . . . . 0.0 110.592 -175.54 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -157.46 79.48 3.47 Favored Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 122.392 0.277 . . . . 0.0 110.725 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.73 179.31 5.36 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.201 2.6 . . . . 0.0 109.495 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.97 46.36 2.26 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 -173.23 2.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.506 1.122 . . . . 0.0 109.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -143.1 105.46 4.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.366 0.266 . . . . 0.0 111.462 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.453 ' CG ' HG13 ' B' ' 79' ' ' VAL . 47.0 m-85 -81.94 152.67 26.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.283 0.563 . . . . 0.0 110.801 174.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.6 111.84 6.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.964 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.27 148.28 51.01 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.942 0.497 . . . . 0.0 109.927 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 64' ' ' LEU . 1.6 mm? -129.96 158.47 39.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.586 0.755 . . . . 0.0 110.217 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -52.14 173.93 0.03 OUTLIER 'General case' 0 C--N 1.338 0.109 0 C-N-CA 127.206 2.203 . . . . 0.0 115.391 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 173.14 11.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.052 0.941 . . . . 0.0 112.591 -174.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 76.1 p -158.89 168.77 25.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.675 1.19 . . . . 0.0 108.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 -175.04 20.23 Favored Glycine 0 CA--C 1.526 0.722 0 CA-C-O 121.059 0.255 . . . . 0.0 112.536 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -124.2 20.38 8.96 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.457 1.103 . . . . 0.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.0 m 78.75 -1.99 2.35 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.179 1.792 . . . . 0.0 113.093 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -126.36 -0.59 6.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.031 0.532 . . . . 0.0 110.559 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.3 13.87 2.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.332 1.453 . . . . 0.0 109.347 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -54.26 138.97 37.62 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.588 1.155 . . . . 0.0 111.143 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.27 159.11 42.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.022 0.529 . . . . 0.0 110.066 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -141.58 173.3 11.63 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.059 1.344 . . . . 0.0 108.412 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.43 158.63 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 118.437 -1.305 . . . . 0.0 111.459 175.189 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.3 mmm -126.6 156.08 41.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.719 1.207 . . . . 0.0 107.95 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -134.86 169.78 16.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.4 t -146.54 158.25 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.07 109.66 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 137.6 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.0 11.66 1.03 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.17 0.588 . . . . 0.0 112.459 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.46 -11.08 68.99 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.776 0.703 . . . . 0.0 111.371 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.83 169.29 18.13 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.94 144.4 50.81 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -139.92 166.03 25.73 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.629 0.372 . . . . 0.0 111.451 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -147.9 162.21 39.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.511 0.724 . . . . 0.0 109.632 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 113.0 0.41 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.9 p -91.57 167.24 12.36 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.276 0.538 . . . . 0.0 111.054 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.8 171.64 44.52 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -73.39 -14.37 61.26 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -146.71 168.75 20.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.44 -26.1 67.05 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.6 -49.13 22.85 Favored 'General case' 0 C--N 1.337 0.051 0 CA-C-N 118.1 0.409 . . . . 0.0 110.661 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.23 -39.23 94.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.268 1.027 . . . . 0.0 109.192 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.71 -49.05 79.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.821 0.449 . . . . 0.0 110.616 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.49 -37.41 86.73 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 122.06 -0.4 . . . . 0.0 110.753 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.58 71.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.35 0.523 . . . . 0.0 110.727 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -75.28 -50.46 16.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.868 0.467 . . . . 0.0 110.763 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.76 81.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.655 0.382 . . . . 0.0 110.932 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.81 68.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.26 0.624 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -64.85 -35.33 80.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.1 m -68.76 -46.38 68.97 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.71 -42.11 83.1 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.784 0.433 . . . . 0.0 110.396 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.409 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.2 tt -62.62 -63.62 1.17 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.758 0.823 . . . . 0.0 109.932 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.49 8.74 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 94.0 m -99.79 -56.18 2.45 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-N 119.041 0.837 . . . . 0.0 111.366 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.14 -28.09 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 122.225 0.21 . . . . 0.0 111.529 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.0 m-30 -92.7 -4.57 52.99 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 122.144 -0.348 . . . . 0.0 111.162 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 59.21 20.48 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.532 0.733 . . . . 0.0 112.13 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 87.9 mt -123.68 -164.38 1.22 Allowed 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.633 1.173 . . . . 0.0 110.079 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -139.62 162.03 36.09 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.505 -1.236 . . . . 0.0 110.457 179.387 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' B' ' 51' ' ' ILE . 88.0 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.573 -0.203 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.38 -50.89 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.912 0.485 . . . . 0.0 110.074 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.79 -40.19 94.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.183 0.193 . . . . 0.0 111.013 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 48' ' ' PRO . 43.9 mt -55.15 -52.95 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.62 -43.11 99.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.008 0.523 . . . . 0.0 109.832 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -66.0 -4.82 7.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.477 0.711 . . . . 0.0 111.809 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -117.42 -22.35 8.24 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.481 0.312 . . . . 0.0 110.454 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.722 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.4 OUTLIER -75.6 -46.28 32.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -164.23 91.35 1.05 Allowed Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 122.758 0.423 . . . . 0.0 109.961 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.76 176.07 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.231 2.621 . . . . 0.0 110.283 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.83 51.19 0.75 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.784 -0.527 . . . . 0.0 111.784 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 -176.47 4.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 110.9 -176.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -137.37 156.42 48.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 175.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.8 m-85 -130.53 154.58 47.65 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -140.36 112.04 7.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.094 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -74.32 146.72 42.88 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.99 155.74 43.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.314 0.645 . . . . 0.0 110.27 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -56.31 172.98 0.19 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.726 1.61 . . . . 0.0 113.887 -171.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.68 169.8 15.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.264 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -153.61 176.8 11.66 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.188 0.995 . . . . 0.0 109.649 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.22 179.82 33.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.52 171.65 14.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.054 0.542 . . . . 0.0 110.768 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m -68.06 -9.35 45.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -120.87 2.17 10.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.941 0.896 . . . . 0.0 111.2 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.8 17.95 2.32 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.078 0.951 . . . . 0.0 110.243 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.488 ' HG2' ' CZ ' ' B' ' 75' ' ' PHE . 29.5 tptt -56.46 153.89 9.31 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.86 0.864 . . . . 0.0 111.207 -175.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -139.52 86.2 2.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.802 0.441 . . . . 0.0 110.883 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.488 ' CZ ' ' HG2' ' B' ' 73' ' ' LYS . 21.3 m-85 -77.73 166.06 23.43 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -144.37 157.03 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.778 175.856 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -141.61 133.92 28.0 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -120.51 172.49 7.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.17 166.23 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.343 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -136.98 109.57 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.22 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 122.998 0.519 . . . . 0.0 109.753 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.34 7.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.326 1.051 . . . . 0.0 113.016 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.43 33.03 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 124.0 0.81 . . . . 0.0 111.672 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.46 174.19 11.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -133.93 146.02 50.12 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.07 164.45 30.24 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.743 0.417 . . . . 0.0 110.945 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -146.49 160.52 42.01 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.162 0.585 . . . . 0.0 109.657 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.35 107.6 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.9 p -84.37 164.14 19.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.72 0.76 . . . . 0.0 110.381 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.7 168.09 40.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -70.68 -13.22 61.99 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 122.658 -0.319 . . . . 0.0 111.557 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.53 159.95 43.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.393 1.077 . . . . 0.0 109.253 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -65.71 -29.62 70.19 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -71.42 -35.4 70.95 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.373 0.533 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.4 -38.14 65.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.15 -48.82 70.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.401 0.281 . . . . 0.0 110.415 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -63.25 -39.66 95.24 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.827 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.02 85.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.241 0.473 . . . . 0.0 110.696 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.07 -52.23 30.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.906 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.35 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.657 0.383 . . . . 0.0 111.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.6 66.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.684 0.394 . . . . 0.0 110.755 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -65.93 -35.51 80.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -67.28 -43.96 80.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.99 69.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.776 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.5 tm? -69.75 -64.85 0.8 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.36 -16.1 32.07 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -173.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.4 m -96.26 -62.26 1.3 Allowed 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.66 0.664 . . . . 0.0 111.811 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.98 -30.64 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 117.982 0.355 . . . . 0.0 111.728 -173.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.722 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 12.6 m-85 -90.23 -4.76 57.0 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.723 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.51 18.31 6.83 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.788 0.835 . . . . 0.0 112.459 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 75.1 mt -116.72 -163.81 0.94 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.907 0.883 . . . . 0.0 110.468 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.78 170.2 13.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 109.456 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.745 -177.147 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' B' ' 51' ' ' ILE . 67.2 Cg_endo . . . . . 0 N--CA 1.456 -0.729 0 N-CA-C 110.525 -0.606 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.04 -52.56 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.323 1.049 . . . . 0.0 110.446 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.9 tpp -71.45 -30.65 66.28 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.399 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.4 mt -59.21 -53.85 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.48 -49.35 72.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.398 1.079 . . . . 0.0 109.409 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.74 -4.99 22.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -106.43 -27.41 10.96 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.907 0.776 . . . . 0.0 110.367 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.94 -54.35 6.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -155.87 86.21 3.19 Favored Pre-proline 0 N--CA 1.453 -0.294 0 O-C-N 123.125 0.265 . . . . 0.0 110.427 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.85 177.45 6.99 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.536 2.824 . . . . 0.0 109.975 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.53 46.65 0.78 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.02 -175.23 3.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.881 0.872 . . . . 0.0 110.574 -175.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -138.51 156.33 47.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.2 m-85 -130.63 154.45 47.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -139.91 111.93 7.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.23 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.2 147.09 45.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.14 158.56 37.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.615 0.766 . . . . 0.0 110.201 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -53.86 174.28 0.05 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 126.497 1.919 . . . . 0.0 115.357 -168.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -126.22 173.2 9.45 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.111 0.964 . . . . 0.0 112.448 -175.153 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -161.94 173.04 15.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.072 0.949 . . . . 0.0 109.592 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.66 172.06 36.18 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.769 0.7 . . . . 0.0 112.951 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.9 176.94 6.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.841 0.856 . . . . 0.0 110.462 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -63.04 -1.92 1.09 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -127.28 2.73 6.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.555 0.742 . . . . 0.0 111.563 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.93 11.21 2.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.916 0.886 . . . . 0.0 110.485 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -55.62 143.15 31.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.986 0.914 . . . . 0.0 111.201 -174.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -141.79 156.47 45.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 37.5 m-85 -139.64 169.56 17.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.362 1.465 . . . . 0.0 107.802 -178.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.78 157.46 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.517 -1.273 . . . . 0.0 110.711 174.018 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tpt -143.72 136.01 26.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.1 p -122.94 172.33 8.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.63 0.372 . . . . 0.0 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.52 166.38 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -137.38 110.0 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.56 127.9 65.24 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.755 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.7 t70 57.36 9.26 0.71 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.946 0.898 . . . . 0.0 112.76 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.46 -13.19 43.38 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.063 0.839 . . . . 0.0 111.698 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 173.95 11.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -133.89 145.87 50.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -141.61 163.87 31.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.713 0.405 . . . . 0.0 110.881 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -146.39 162.22 38.69 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 109.714 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.45 106.39 0.22 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.7 p -82.9 164.57 20.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 117.611 0.705 . . . . 0.0 110.183 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.32 173.0 43.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.75 -13.03 60.06 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.835 0.454 . . . . 0.0 111.563 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -150.84 167.66 26.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.717 0.807 . . . . 0.0 109.68 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -62.41 -44.81 95.55 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 123.363 0.665 . . . . 0.0 112.589 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -66.11 -34.66 78.56 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 122.38 -0.2 . . . . 0.0 111.166 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.93 -38.28 69.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.93 74.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -63.83 -37.95 89.27 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.669 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.23 83.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.414 0.552 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.46 -53.73 15.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.721 0.408 . . . . 0.0 110.661 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.16 77.64 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.567 0.347 . . . . 0.0 111.592 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.19 69.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.482 0.313 . . . . 0.0 110.502 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -62.21 -37.32 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.9 m -67.55 -45.69 74.91 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.066 0.394 . . . . 0.0 110.147 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.5 -42.78 88.43 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.496 0.319 . . . . 0.0 110.287 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.439 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.8 tt -61.12 -65.94 0.61 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.324 1.05 . . . . 0.0 109.395 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.5 -10.81 2.38 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.5 m -104.64 -55.03 2.41 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.957 0.799 . . . . 0.0 111.661 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.91 -27.31 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 118.143 0.428 . . . . 0.0 110.486 -175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.438 ' CD2' ' HG ' ' B' ' 105' ' ' LEU . 5.4 m-30 -92.72 -4.99 52.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.358 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.25 20.62 8.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.504 0.722 . . . . 0.0 112.602 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 77.9 mt -119.08 -165.13 1.1 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.046 0.939 . . . . 0.0 110.504 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.4 t-80 -135.81 -178.73 5.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.281 0.632 . . . . 0.0 109.874 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.379 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.419 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.7 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.505 -0.229 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.61 -51.93 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.3 mmt -69.25 -30.32 68.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 48' ' ' PRO . 45.3 mt -61.23 -54.97 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.9 -50.06 73.67 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.145 0.978 . . . . 0.0 109.439 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.46 -10.5 44.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.739 . . . . 0.0 112.816 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -105.66 -30.75 9.27 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.456 0.571 . . . . 0.0 110.759 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.9 tt -78.1 -50.79 11.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.442 -0.162 . . . . 0.0 110.771 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -153.67 80.54 5.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 178.11 5.76 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.387 2.725 . . . . 0.0 110.024 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.71 46.19 1.06 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.131 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.51 -174.5 3.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.332 1.053 . . . . 0.0 109.932 -177.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -139.21 154.06 47.97 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.456 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.5 m-85 -128.93 154.37 46.62 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -141.04 112.01 7.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -68.75 147.64 51.5 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.714 0.406 . . . . 0.0 109.944 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.07 157.5 41.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.513 0.725 . . . . 0.0 110.016 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.2 m -53.61 173.74 0.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.428 1.891 . . . . 0.0 115.114 -168.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.448 ' HB2' ' HE3' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -118.17 171.92 7.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.231 -175.238 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -149.35 170.81 17.67 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.168 0.987 . . . . 0.0 109.925 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.86 173.41 49.49 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 123.589 0.614 . . . . 0.0 112.806 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -80.46 -174.06 4.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.266 1.026 . . . . 0.0 110.42 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 26.4 p -59.97 -11.64 6.17 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.232 0.613 . . . . 0.0 111.791 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -121.78 155.95 34.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.892 1.277 . . . . 0.0 107.917 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.77 20.16 1.09 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.704 0.402 . . . . 0.0 111.72 -172.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 66' ' ' GLU . 42.3 tptt -56.03 152.62 10.11 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.493 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -141.48 153.59 45.03 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.74 0.416 . . . . 0.0 110.51 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 38.5 m-85 -142.69 172.13 13.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.772 1.629 . . . . 0.0 107.709 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.92 159.06 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.777 174.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 87.7 mmm -127.33 157.01 41.05 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 107.972 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -134.37 170.65 15.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 167.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.0 t -145.96 161.38 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.16 109.65 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.4 138.22 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.73 12.22 1.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.249 0.619 . . . . 0.0 112.459 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.29 -11.28 70.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.28 170.07 17.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -133.01 144.19 49.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.01 167.19 22.61 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.529 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -146.8 162.3 38.88 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.85 111.69 0.35 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.1 p -91.0 164.77 13.85 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 117.31 0.555 . . . . 0.0 111.026 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.95 169.44 41.84 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.95 -10.6 59.64 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.411 0.605 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.18 162.81 38.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.545 1.138 . . . . 0.0 109.31 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.03 -34.64 78.93 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.82 -44.12 78.02 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 118.135 0.425 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.13 -39.56 86.61 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.33 83.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.442 0.297 . . . . 0.0 110.966 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -66.17 -39.33 89.67 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 122.061 -0.399 . . . . 0.0 110.496 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.77 71.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.134 0.425 . . . . 0.0 110.512 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.13 -55.34 6.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.929 0.491 . . . . 0.0 110.615 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.41 79.31 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.656 0.382 . . . . 0.0 111.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.8 72.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.205 0.602 . . . . 0.0 110.388 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -65.26 -37.34 86.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.2 m -67.89 -43.66 78.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 118.243 0.474 . . . . 0.0 110.231 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.58 87.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.848 0.459 . . . . 0.0 110.137 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.3 -59.89 4.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.604 0.762 . . . . 0.0 109.467 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.16 -16.62 8.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -103.15 -55.94 2.32 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 118.589 0.631 . . . . 0.0 111.599 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.28 -29.53 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.059 0 C-N-CA 122.287 0.235 . . . . 0.0 111.188 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.0 m-30 -91.38 -8.74 47.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 122.249 -0.282 . . . . 0.0 111.139 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m120 57.26 18.12 4.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 111.288 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.32 108.86 10.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.886 1.275 . . . . 0.0 109.312 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -62.8 157.89 20.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.624 0.25 . . . . 0.0 110.601 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.668 -1.158 . . . . 0.0 110.324 179.017 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' B' ' 51' ' ' ILE . 66.3 Cg_endo . . . . . 0 N--CA 1.455 -0.786 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -52.07 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.587 0.755 . . . . 0.0 110.263 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.2 mtp -75.34 -25.05 57.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.181 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' B' ' 48' ' ' PRO . 53.5 mt -61.35 -52.61 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.27 -49.39 77.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.092 0.957 . . . . 0.0 109.7 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.81 -11.95 50.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.391 0.676 . . . . 0.0 112.703 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.32 -31.61 8.99 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.353 0.524 . . . . 0.0 110.799 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.73 -49.42 16.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -154.0 84.06 4.16 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 122.439 0.296 . . . . 0.0 110.375 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.86 178.99 5.19 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.202 2.601 . . . . 0.0 109.943 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.59 53.08 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.37 -178.01 4.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.985 0.914 . . . . 0.0 110.444 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -140.81 106.72 5.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.503 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.2 m-85 -84.76 152.5 23.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.06 111.74 7.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.901 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.28 147.98 51.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.737 0.415 . . . . 0.0 109.994 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.48 157.6 41.55 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.546 0.738 . . . . 0.0 109.925 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -53.48 174.21 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 126.696 1.999 . . . . 0.0 115.389 -168.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -124.92 170.95 10.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.929 -175.561 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -153.9 168.67 25.58 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.312 1.045 . . . . 0.0 109.819 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 174.37 32.65 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.203 0.43 . . . . 0.0 112.271 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.39 -173.32 3.25 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.809 0.843 . . . . 0.0 110.142 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -66.1 -3.54 5.7 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.114 -0.366 . . . . 0.0 111.238 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -127.5 160.68 30.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.895 1.278 . . . . 0.0 108.148 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.71 15.04 0.33 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.06 0.544 . . . . 0.0 112.342 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.99 155.04 17.58 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.943 0.897 . . . . 0.0 111.077 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.6 m -141.8 156.05 45.57 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.689 0.396 . . . . 0.0 110.398 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 24.8 m-85 -141.8 172.94 11.99 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.436 1.494 . . . . 0.0 107.837 -178.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.9 OUTLIER -148.24 158.71 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 118.208 -1.397 . . . . 0.0 111.687 175.187 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.6 mmm -127.69 156.72 41.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.899 1.28 . . . . 0.0 107.945 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.3 p -134.65 169.08 17.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -146.97 161.95 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.356 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -131.51 109.95 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.577 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.27 8.66 0.6 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.021 0.928 . . . . 0.0 112.868 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.32 -12.78 36.71 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.202 0.906 . . . . 0.0 111.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.07 172.74 13.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -132.87 145.34 50.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -140.82 166.17 25.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.642 0.377 . . . . 0.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.01 162.42 37.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.627 0.771 . . . . 0.0 109.385 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.37 106.08 0.21 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -86.02 164.12 17.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 117.374 0.587 . . . . 0.0 110.623 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.67 172.1 41.77 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -73.14 -14.62 61.41 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 117.088 0.444 . . . . 0.0 112.003 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -150.36 162.2 41.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.387 1.075 . . . . 0.0 108.594 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -32.41 73.58 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -67.66 -48.65 66.03 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.368 0.667 . . . . 0.0 110.426 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.4 -38.68 90.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.444 0.697 . . . . 0.0 109.837 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.15 86.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.813 0.445 . . . . 0.0 111.264 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -65.3 -36.33 83.73 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.978 -0.451 . . . . 0.0 110.714 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.46 69.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.251 0.478 . . . . 0.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -78.1 -51.31 10.47 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.738 0.415 . . . . 0.0 110.94 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.45 84.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.592 0.357 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.66 -36.45 70.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.935 0.494 . . . . 0.0 110.759 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -66.13 -36.66 83.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.3 m -67.05 -44.64 79.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.74 95.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.453 0.301 . . . . 0.0 110.429 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.422 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.7 tt -61.36 -66.9 0.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.056 0.942 . . . . 0.0 109.75 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.36 -15.94 7.75 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.6 m -97.04 -58.06 2.12 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.68 0.673 . . . . 0.0 111.127 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.06 -28.96 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 117.815 0.28 . . . . 0.0 110.89 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -92.17 -5.42 52.63 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.338 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.4 m120 58.86 21.48 9.14 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.407 0.683 . . . . 0.0 112.675 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.56 -167.3 1.44 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.767 0.827 . . . . 0.0 110.674 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' HIS . . . . . 0.489 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.0 t-80 -132.75 -177.75 4.63 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.124 0.569 . . . . 0.0 110.055 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.489 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.9 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.412 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 77.1 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.06 -47.94 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.553 0.341 . . . . 0.0 110.117 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.8 mmt -69.91 -45.43 67.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.7 pt -60.27 -36.02 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 CA-C-N 119.076 0.853 . . . . 0.0 110.569 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.61 -53.69 43.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.99 -10.61 6.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.467 1.507 . . . . 0.0 113.504 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.08 -18.5 11.67 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 118.76 0.709 . . . . 0.0 111.826 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -88.66 -49.8 6.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -158.53 83.18 2.64 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.715 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.21 178.93 5.45 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.448 2.765 . . . . 0.0 109.644 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.32 31.07 1.2 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 112.261 -0.335 . . . . 0.0 112.261 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 -172.72 2.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.588 0.755 . . . . 0.0 110.686 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.468 ' HE2' ' HB3' ' B' ' 60' ' ' LYS . 13.1 ptpt -148.3 156.82 43.01 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' B' ' 79' ' ' VAL . 30.7 m-85 -126.68 155.15 43.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 118.243 0.474 . . . . 0.0 110.24 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -140.12 112.17 7.61 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.388 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.31 148.33 50.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.879 0.472 . . . . 0.0 110.12 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.68 157.45 42.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.621 0.768 . . . . 0.0 109.922 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -54.44 175.19 0.05 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.666 1.986 . . . . 0.0 115.475 -168.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -122.11 171.31 9.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.024 0.93 . . . . 0.0 112.511 -174.473 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 172.84 15.84 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.276 1.03 . . . . 0.0 110.037 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.24 175.94 50.95 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.738 0.685 . . . . 0.0 113.026 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -93.77 175.72 6.62 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.024 0.93 . . . . 0.0 110.12 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -63.19 -3.16 1.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -119.99 1.2 10.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.517 0.727 . . . . 0.0 111.542 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.28 14.08 1.82 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.091 0.956 . . . . 0.0 109.959 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -56.85 147.18 24.07 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.256 1.023 . . . . 0.0 111.933 -172.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -143.51 155.48 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.354 0.662 . . . . 0.0 109.472 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 34.9 m-85 -141.2 171.78 13.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.289 1.436 . . . . 0.0 108.026 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.78 158.92 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 118.386 -1.325 . . . . 0.0 111.538 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.6 mmm -126.44 156.75 40.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.726 1.21 . . . . 0.0 107.998 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 95.1 p -133.94 170.74 15.18 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' B' ' 61' ' ' TYR . 1.8 t -147.36 159.68 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -134.16 109.91 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 170.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.86 137.86 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.737 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.48 12.49 1.07 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.222 0.609 . . . . 0.0 112.453 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.8 -10.73 72.05 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -80.03 169.54 17.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -131.52 143.9 50.73 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -138.07 167.18 22.34 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 111.656 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.33 162.91 37.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.898 0.879 . . . . 0.0 109.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.86 108.44 0.26 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.5 p -89.56 163.58 15.13 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.269 0.534 . . . . 0.0 110.76 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.09 170.2 41.33 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -74.23 -10.8 59.96 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.481 0.641 . . . . 0.0 112.005 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -148.48 164.49 34.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.555 1.142 . . . . 0.0 109.681 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.42 -36.69 84.99 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.9 -46.18 79.26 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 123.125 0.57 . . . . 0.0 110.806 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.32 -39.59 85.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.18 84.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.915 0.486 . . . . 0.0 111.058 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -65.88 -39.09 90.35 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.034 -0.416 . . . . 0.0 110.443 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.98 71.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.242 0.473 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -75.14 -52.35 11.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.964 0.505 . . . . 0.0 110.854 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.62 78.7 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.8 69.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.202 0.601 . . . . 0.0 110.726 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -66.27 -37.75 86.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -67.49 -44.69 77.88 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.07 89.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.929 0.491 . . . . 0.0 110.276 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.422 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.2 tt -61.35 -64.02 1.09 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.595 0.758 . . . . 0.0 109.816 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.91 -14.0 5.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.1 m -99.29 -57.46 2.15 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 118.674 0.67 . . . . 0.0 111.013 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.98 -26.32 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 122.581 0.352 . . . . 0.0 111.476 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.8 m-30 -93.72 -4.95 49.52 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.974 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 59.22 21.24 9.35 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.686 0.795 . . . . 0.0 112.554 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.89 -167.58 1.51 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.899 0.879 . . . . 0.0 110.729 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.0 t-80 -132.45 -179.91 5.73 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.929 0.492 . . . . 0.0 110.177 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.129 -1.415 . . . . 0.0 110.431 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.8 Cg_endo . . . . . 0 N--CA 1.457 -0.658 0 N-CA-C 111.559 -0.208 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.16 -49.78 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 122.977 0.511 . . . . 0.0 109.949 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.0 tpp -67.24 -36.89 82.59 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' B' ' 48' ' ' PRO . 42.4 mt -57.07 -54.38 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.11 -48.55 75.97 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.188 0.995 . . . . 0.0 109.529 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -67.75 -9.74 46.57 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.506 0.722 . . . . 0.0 112.864 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.1 -42.97 6.5 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -70.81 -51.31 27.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.61 0.364 . . . . 0.0 111.418 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -152.26 79.83 6.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.09 177.73 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.581 2.854 . . . . 0.0 109.963 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.85 1.37 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.44 -0.409 . . . . 0.0 112.572 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -177.67 4.07 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.737 0.815 . . . . 0.0 110.568 -175.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -138.1 158.1 44.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.4 m-85 -130.68 155.41 46.64 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.87 112.44 7.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.358 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.92 148.25 50.46 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.27 157.43 41.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.73 0.812 . . . . 0.0 109.594 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -56.6 176.55 0.09 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.083 1.753 . . . . 0.0 115.133 -168.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.64 174.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.041 0.936 . . . . 0.0 112.215 -175.25 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 82.8 p -154.75 173.25 16.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.648 0.779 . . . . 0.0 110.103 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.84 171.42 47.75 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.501 0.572 . . . . 0.0 112.585 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.43 -172.37 3.78 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.266 1.027 . . . . 0.0 110.337 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -61.24 -9.45 5.03 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -120.79 156.8 31.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.1 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.92 19.05 0.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.474 0.31 . . . . 0.0 111.788 -173.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.2 148.55 22.0 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.138 0.975 . . . . 0.0 110.358 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.54 154.22 45.34 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 123.164 0.29 . . . . 0.0 110.526 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 25.3 m-85 -140.73 173.16 11.76 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.911 1.684 . . . . 0.0 107.128 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.75 159.39 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.897 175.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 86.2 mmm -128.31 156.34 43.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 108.137 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 92.7 p -133.5 170.44 15.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 167.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.444 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.1 t -146.51 162.67 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.44 109.13 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.57 138.0 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.1 12.39 1.26 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.154 0.582 . . . . 0.0 112.51 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.04 -11.41 70.8 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 170.21 16.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -132.52 145.12 50.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.33 168.17 20.43 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.502 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -146.39 162.06 39.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.667 0.787 . . . . 0.0 109.223 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.03 106.98 0.23 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -85.32 166.66 16.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.344 0.572 . . . . 0.0 110.49 175.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.0 172.19 44.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -69.39 -19.15 63.82 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 117.088 0.444 . . . . 0.0 112.196 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.54 174.84 12.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.798 0.839 . . . . 0.0 109.684 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -61.85 -40.16 94.36 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.835 0.854 . . . . 0.0 112.395 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.36 -49.98 50.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 122.866 0.466 . . . . 0.0 110.983 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -38.19 85.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.57 0.748 . . . . 0.0 109.965 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.59 73.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.65 0.38 . . . . 0.0 110.756 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -64.0 -35.02 79.33 Favored 'General case' 0 C--O 1.225 -0.194 0 O-C-N 122.043 -0.411 . . . . 0.0 110.526 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.45 78.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.045 0.384 . . . . 0.0 110.299 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.14 -49.22 29.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.726 0.41 . . . . 0.0 110.839 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.32 86.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.548 0.339 . . . . 0.0 110.884 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 -37.46 66.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.882 0.473 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.43 -40.06 93.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 61.4 m -68.63 -43.5 76.2 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.76 90.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.97 0.508 . . . . 0.0 110.852 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 7.9 tt -64.2 -62.38 1.65 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.676 0.39 . . . . 0.0 110.412 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.95 56.8 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -79.46 -57.49 3.67 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 118.495 0.589 . . . . 0.0 111.223 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.44 -28.67 42.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 122.549 0.339 . . . . 0.0 111.527 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.7 m-30 -94.94 0.81 55.03 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.35 -0.834 . . . . 0.0 111.002 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 13.76 1.31 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.517 1.527 . . . . 0.0 114.385 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.1 174.1 6.11 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.032 0.533 . . . . 0.0 112.074 -174.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -92.29 161.53 14.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.228 -179.726 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 90.8 Cg_endo . . . . . 0 N--CA 1.454 -0.797 0 N-CA-C 111.951 -0.057 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.36 -51.64 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -74.46 -38.28 63.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.244 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.4 pt -61.55 -35.9 69.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 C-N-CA 118.549 -1.26 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 52' ' ' LEU . 4.6 tt -63.35 -59.17 5.06 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -66.91 -0.34 3.02 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.81 -17.8 10.94 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.482 0.583 . . . . 0.0 110.938 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.96 -51.05 5.67 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -145.81 81.92 9.67 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.301 0.64 . . . . 0.0 110.23 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.49 176.14 8.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.259 2.639 . . . . 0.0 110.166 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.57 49.52 0.8 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -175.6 3.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.865 0.866 . . . . 0.0 110.314 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' B' ' 60' ' ' LYS . 3.4 mppt? -143.28 113.11 7.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.756 0.423 . . . . 0.0 110.339 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.494 ' CG ' HG13 ' B' ' 79' ' ' VAL . 42.8 m-85 -85.73 155.38 21.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.271 0.557 . . . . 0.0 110.891 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.06 110.42 6.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.967 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -72.42 147.09 46.49 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.4 158.1 39.24 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.447 0.699 . . . . 0.0 110.361 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -53.1 173.81 0.04 OUTLIER 'General case' 0 C--O 1.23 0.077 0 C-N-CA 126.815 2.046 . . . . 0.0 115.393 -168.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.24 173.9 10.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.26 1.024 . . . . 0.0 112.634 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -159.71 167.03 29.3 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.856 1.263 . . . . 0.0 108.618 175.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.56 -172.01 23.23 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 121.168 0.316 . . . . 0.0 112.857 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.34 21.17 5.68 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.603 1.161 . . . . 0.0 111.609 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.6 m 76.09 -1.67 2.9 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.045 1.738 . . . . 0.0 113.107 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -127.51 0.02 6.23 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.652 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.43 14.99 2.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.044 1.337 . . . . 0.0 109.637 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -56.86 142.16 42.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.589 1.156 . . . . 0.0 111.578 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.0 m -142.02 159.32 42.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.375 0.67 . . . . 0.0 109.781 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -141.16 170.83 15.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 125.015 1.326 . . . . 0.0 108.465 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.26 156.86 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 118.445 -1.302 . . . . 0.0 110.79 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -142.21 133.54 26.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -123.85 173.07 8.42 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.494 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.29 160.68 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.866 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.49 111.02 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.81 138.7 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.67 11.73 0.96 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.27 -10.9 71.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -80.01 170.03 17.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -132.09 144.93 51.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.33 163.63 32.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.001 0.52 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -146.04 162.49 37.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.962 0.505 . . . . 0.0 109.923 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.81 103.3 0.18 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.8 p -81.27 163.87 22.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.493 0.646 . . . . 0.0 110.15 175.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.84 174.33 43.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.12 -15.53 61.48 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.974 0.51 . . . . 0.0 111.916 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -155.21 167.81 29.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.273 1.029 . . . . 0.0 109.563 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -63.12 -40.97 99.17 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.29 0.636 . . . . 0.0 112.109 -175.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -62.81 -39.16 93.4 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.289 0.635 . . . . 0.0 110.346 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.67 -39.75 57.08 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.546 0.739 . . . . 0.0 110.617 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -49.59 74.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -63.67 -37.82 88.8 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 119.314 -0.375 . . . . 0.0 111.064 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.87 71.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.405 0.548 . . . . 0.0 110.953 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -75.64 -51.0 13.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.833 0.453 . . . . 0.0 110.777 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.771 0.429 . . . . 0.0 111.442 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.36 -33.19 69.34 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.569 0.348 . . . . 0.0 110.701 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -66.43 -38.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -68.63 -43.66 75.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.071 0.548 . . . . 0.0 110.594 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -57.97 10.16 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.392 0.677 . . . . 0.0 110.032 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.68 42.94 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -92.65 -56.68 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.374 0.534 . . . . 0.0 111.476 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.91 -28.88 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.45 0.3 . . . . 0.0 111.717 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -95.68 -0.79 51.2 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.379 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 51.67 17.18 0.55 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.809 1.243 . . . . 0.0 112.785 -173.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 47.6 mt -130.18 107.14 9.08 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.765 1.226 . . . . 0.0 109.643 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.26 158.09 14.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.609 0.242 . . . . 0.0 110.805 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.634 179.402 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' B' ' 51' ' ' ILE . 72.7 Cg_endo . . . . . 0 N--CA 1.454 -0.812 0 N-CA-C 111.224 -0.337 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.53 -50.63 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.478 0.711 . . . . 0.0 110.009 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.81 -36.1 77.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.766 -0.159 . . . . 0.0 111.425 -176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 48' ' ' PRO . 46.4 mt -56.12 -53.99 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.06 -50.48 73.3 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.595 0.758 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -67.1 -5.7 14.4 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.71 0.804 . . . . 0.0 112.951 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.0 -32.92 6.43 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.619 0.645 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 tt -74.25 -59.65 2.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -145.51 83.08 9.19 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 122.913 0.485 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.68 177.2 7.16 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.085 2.523 . . . . 0.0 109.968 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.18 50.66 0.53 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.98 -177.09 4.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.803 0.841 . . . . 0.0 110.564 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 50.5 mtmt -143.11 110.02 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.491 ' CG ' HG13 ' B' ' 79' ' ' VAL . 48.1 m-85 -84.18 156.06 22.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 121.621 0.724 . . . . 0.0 111.275 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -140.64 119.08 12.2 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.747 1.219 . . . . 0.0 108.617 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.541 ' C ' HD22 ' B' ' 64' ' ' LEU . 66.8 t80 -82.89 139.53 33.38 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.541 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.7 mm? -120.78 159.21 25.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.501 0.72 . . . . 0.0 109.756 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.15 173.71 0.07 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -167.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 174.29 6.91 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.857 0.863 . . . . 0.0 112.319 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -158.66 174.82 14.46 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.301 1.04 . . . . 0.0 109.325 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -177.6 46.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.013 0.34 . . . . 0.0 112.662 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.62 179.98 3.9 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.749 1.219 . . . . 0.0 109.783 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.1 m -60.01 3.31 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -129.49 -0.33 4.99 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 111.746 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.52 11.44 0.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.358 0.663 . . . . 0.0 111.033 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -54.97 143.78 25.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.712 0.805 . . . . 0.0 111.652 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 p -142.83 155.25 44.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.499 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -139.12 161.71 36.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -134.88 153.89 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 117.954 -1.499 . . . . 0.0 110.426 177.24 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -138.57 134.28 33.62 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -130.82 169.63 15.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -174.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.7 OUTLIER -146.82 161.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.376 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.61 112.83 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 169.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -137.26 138.85 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.91 11.84 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.34 70.02 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -79.25 170.35 16.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -131.45 145.68 51.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 110.222 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -140.92 162.75 34.72 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.514 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -147.17 159.89 43.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.055 0.942 . . . . 0.0 108.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.12 100.72 0.16 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 43.0 t -78.69 160.02 27.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.477 0.639 . . . . 0.0 110.277 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.12 174.26 41.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.36 -15.83 61.36 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -153.82 170.97 19.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 109.801 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.93 -47.95 83.7 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 123.011 0.524 . . . . 0.0 111.959 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.89 -43.17 99.39 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 122.505 0.322 . . . . 0.0 111.295 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.07 -38.84 86.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.668 0.387 . . . . 0.0 110.135 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.36 76.39 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -63.75 -38.86 92.7 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 122.185 -0.322 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.87 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.326 0.512 . . . . 0.0 110.818 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -74.37 -54.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.968 0.507 . . . . 0.0 110.639 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.21 75.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.533 0.333 . . . . 0.0 111.73 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.48 68.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.495 0.318 . . . . 0.0 110.245 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -64.39 -36.07 82.96 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 65.0 m -70.22 -44.51 68.46 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.61 88.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.017 0.527 . . . . 0.0 110.146 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.48 -59.35 5.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.871 0.868 . . . . 0.0 109.396 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.15 -17.83 12.61 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.4 m -100.78 -57.77 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.423 0.556 . . . . 0.0 111.653 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -66.53 -30.91 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 122.573 0.349 . . . . 0.0 111.506 -174.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -89.68 -8.7 51.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.956 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m120 57.21 19.1 4.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.454 0.701 . . . . 0.0 111.288 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.2 mt -131.32 108.85 9.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.84 1.256 . . . . 0.0 109.261 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -62.69 158.19 19.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.555 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.498 178.921 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.427 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.2 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 112.979 0.338 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.01 -46.0 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 118.455 0.57 . . . . 0.0 109.99 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.1 tpp -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.7 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.6 pt -62.71 -37.91 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.626 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.24 -50.43 73.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.74 -10.28 12.21 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.903 1.281 . . . . 0.0 112.659 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.61 -13.19 14.86 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.832 0.742 . . . . 0.0 111.668 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.1 tt -104.93 -38.82 6.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.596 0.18 . . . . 0.0 110.892 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -157.15 80.31 3.45 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 122.26 0.224 . . . . 0.0 110.809 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.13 178.29 6.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.147 2.565 . . . . 0.0 109.284 173.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 40.83 2.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.22 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.48 -176.91 3.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.323 1.049 . . . . 0.0 110.092 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.21 155.08 49.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.461 ' CG ' HG13 ' B' ' 79' ' ' VAL . 34.4 m-85 -128.69 154.08 46.67 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -139.74 114.27 9.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.229 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.99 148.03 50.72 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.869 0.467 . . . . 0.0 110.165 175.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.44 161.23 30.85 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.798 0.839 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -49.59 172.54 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.377 2.271 . . . . 0.0 116.237 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.452 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 11.5 pt-20 -130.57 159.24 37.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 110.804 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 61.8 m -155.18 170.36 22.02 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.572 0.749 . . . . 0.0 110.448 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.41 37.26 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.892 0.758 . . . . 0.0 112.572 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -87.65 175.25 7.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.304 0.642 . . . . 0.0 110.073 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -62.72 -3.17 1.39 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -123.59 3.65 8.96 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.766 0.826 . . . . 0.0 111.197 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.86 11.85 1.83 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.133 0.973 . . . . 0.0 110.436 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -57.0 147.85 22.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.683 1.193 . . . . 0.0 111.69 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -146.02 161.3 40.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.097 0.559 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 32.8 m-85 -146.05 171.53 14.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.783 1.233 . . . . 0.0 108.272 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -147.56 160.14 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.332 175.385 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.2 mmm -128.99 158.63 38.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.732 1.213 . . . . 0.0 108.107 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -135.29 170.89 15.24 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.6 t -147.32 166.23 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.94 109.13 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.95 126.02 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.934 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 57.78 8.92 0.76 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.206 1.002 . . . . 0.0 112.896 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.1 -13.16 34.12 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.135 0.874 . . . . 0.0 111.819 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.9 173.55 12.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -133.81 145.94 50.21 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -141.41 167.59 21.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.581 0.352 . . . . 0.0 111.656 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.92 161.23 42.29 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.291 0.637 . . . . 0.0 109.919 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.75 120.06 0.74 Allowed Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 92.4 p -92.48 170.26 9.9 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 117.009 0.405 . . . . 0.0 110.902 177.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.37 172.08 43.36 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.56 -14.74 60.83 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 122.544 -0.386 . . . . 0.0 111.03 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -147.78 165.24 31.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.127 0.971 . . . . 0.0 109.449 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.85 -38.72 89.27 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -69.27 -39.17 78.56 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-O 120.671 0.272 . . . . 0.0 110.888 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.98 -37.2 69.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.267 0.627 . . . . 0.0 110.002 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.23 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.751 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -64.23 -33.24 75.36 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 122.151 -0.343 . . . . 0.0 110.207 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.18 80.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.168 0.44 . . . . 0.0 110.988 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -71.28 -53.78 13.1 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.441 0.564 . . . . 0.0 110.516 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.07 79.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.314 0.246 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.04 63.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.126 0.57 . . . . 0.0 110.726 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -66.53 -36.22 82.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.152 -0.342 . . . . 0.0 110.25 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -66.58 -45.1 80.36 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.9 89.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.35 0.26 . . . . 0.0 110.452 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.429 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.1 tt -63.87 -68.05 0.38 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.535 0.734 . . . . 0.0 109.854 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.42 -16.2 8.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -93.83 -60.25 1.8 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.724 0.693 . . . . 0.0 111.002 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.18 -28.29 43.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 O-C-N 122.3 -0.25 . . . . 0.0 111.21 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.9 m-30 -91.35 -0.32 57.63 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.521 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 54.9 14.13 0.86 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.745 1.218 . . . . 0.0 113.775 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 mt -118.5 -165.43 1.12 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.577 1.151 . . . . 0.0 110.418 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -136.96 162.07 34.28 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.307 -1.33 . . . . 0.0 110.503 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.426 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 71.7 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.78 -44.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.37 -50.41 59.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.889 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.1 pt -57.07 -40.67 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 118.984 0.811 . . . . 0.0 110.68 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.72 -52.72 63.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.03 -4.83 3.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.486 1.115 . . . . 0.0 112.809 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.37 -13.88 13.84 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.929 0.492 . . . . 0.0 111.008 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -107.3 -34.75 7.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.565 0.346 . . . . 0.0 111.296 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -154.07 71.47 6.4 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 122.687 0.395 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.24 178.89 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.142 2.561 . . . . 0.0 109.406 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.35 54.78 2.48 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -174.92 3.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.85 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -140.52 101.77 4.18 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.482 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' TYR . . . . . 0.454 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.6 m-85 -81.85 151.32 27.39 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.202 0.525 . . . . 0.0 110.411 174.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -138.88 111.71 7.78 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.591 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.16 148.69 50.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.826 0.45 . . . . 0.0 109.957 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -128.65 156.11 43.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.052 0.941 . . . . 0.0 109.185 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -54.28 161.11 1.43 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -167.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 7.8 pt-20 -81.65 173.03 12.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.053 1.341 . . . . 0.0 112.119 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -158.26 170.4 22.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.689 0.795 . . . . 0.0 110.037 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.94 176.85 38.45 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.472 1.034 . . . . 0.0 113.487 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -81.17 172.5 13.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.134 0.974 . . . . 0.0 110.257 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -66.32 -28.98 69.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -81.78 -6.39 59.02 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.48 22.28 1.66 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.003 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -51.44 141.11 16.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.013 0.925 . . . . 0.0 111.532 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -137.04 161.95 34.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.228 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.1 m-85 -146.45 175.26 10.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.935 1.294 . . . . 0.0 108.157 -176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -146.91 159.42 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.176 176.472 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.0 mmm -129.26 156.79 43.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.492 1.117 . . . . 0.0 108.091 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -133.8 168.6 18.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.454 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.65 162.25 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.133 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.91 110.13 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 170.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.9 t -126.81 120.19 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.207 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.89 5.08 0.46 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.606 1.163 . . . . 0.0 112.998 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.13 11.95 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.451 1.024 . . . . 0.0 112.113 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -76.59 171.04 15.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 117.619 0.71 . . . . 0.0 109.32 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.1 143.88 49.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -140.5 167.12 22.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.766 0.317 . . . . 0.0 111.668 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.77 161.5 39.79 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.881 0.872 . . . . 0.0 109.177 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.18 107.45 0.23 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.4 p -83.42 167.73 17.22 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.378 0.589 . . . . 0.0 110.507 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.38 171.53 44.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.48 -11.56 60.5 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -140.49 164.45 30.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -67.63 -28.66 67.92 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.794 173.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.39 -49.25 35.28 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.378 1.071 . . . . 0.0 110.044 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.72 -41.05 98.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.077 0.951 . . . . 0.0 109.605 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.55 93.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.626 0.37 . . . . 0.0 110.773 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -64.47 -34.84 79.14 Favored 'General case' 0 C--O 1.225 -0.234 0 O-C-N 122.155 -0.341 . . . . 0.0 110.534 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.64 -32.24 73.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.402 0.547 . . . . 0.0 110.506 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.63 -50.15 18.88 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.404 0.281 . . . . 0.0 110.96 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.85 81.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.96 70.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.577 0.351 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -62.66 -36.2 82.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.6 m -69.25 -44.73 71.34 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.64 80.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 110.79 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' LEU . . . . . 0.424 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.3 tt -64.35 -68.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 109.704 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.6 -48.77 28.13 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.5 m -65.98 -61.86 1.81 Allowed 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.06 0.391 . . . . 0.0 111.76 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.38 -24.76 29.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -171.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.6 m-30 -92.48 -3.98 54.34 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.111 -0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.11 25.88 14.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.636 0.775 . . . . 0.0 111.892 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.44 -168.62 1.91 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.205 1.002 . . . . 0.0 110.749 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' HIS . . . . . 0.452 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 36.9 t-80 -134.37 -179.97 5.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.511 0.724 . . . . 0.0 109.571 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' LEU . . . . . 0.452 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.426 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 N--CA 1.478 0.585 0 CA-C-O 119.954 -0.102 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -72.11 -9.05 57.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.1 171.3 13.64 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -144.24 9.96 1.47 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.255 1.022 . . . . 0.0 111.691 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.448 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 25.8 p30 -133.91 164.84 41.13 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 122.766 0.426 . . . . 0.0 112.084 -171.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.7 Cg_endo -72.3 -11.57 26.86 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.683 2.922 . . . . 0.0 111.588 174.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.62 -50.69 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.07 0.548 . . . . 0.0 110.233 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.95 -36.4 83.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.305 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.6 mt -57.57 -54.63 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.72 -51.03 70.39 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.184 0.994 . . . . 0.0 109.696 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -65.4 -9.67 27.15 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.504 0.722 . . . . 0.0 112.747 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -107.05 -33.28 7.52 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.286 0.494 . . . . 0.0 110.841 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.0 tt -73.3 -50.84 19.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -153.46 84.84 4.23 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.573 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.46 177.81 6.32 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.139 2.559 . . . . 0.0 109.573 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.34 35.1 1.66 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 -178.36 4.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.88 0.872 . . . . 0.0 110.586 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -137.31 157.23 47.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 35.8 m-85 -130.36 154.09 48.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -138.93 110.92 7.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.225 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -71.79 146.26 48.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.47 158.31 37.72 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.655 0.782 . . . . 0.0 109.913 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -53.57 173.74 0.05 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.413 1.885 . . . . 0.0 115.366 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -117.31 170.48 8.67 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.16 0.984 . . . . 0.0 112.215 -175.231 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -151.02 172.25 16.02 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.092 0.957 . . . . 0.0 110.296 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.44 174.46 46.09 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 123.861 0.743 . . . . 0.0 113.026 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -81.99 173.66 11.99 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 -14.37 60.63 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -106.24 -0.3 24.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.991 0.516 . . . . 0.0 111.782 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.05 18.87 2.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.285 1.034 . . . . 0.0 109.616 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -56.57 152.45 11.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.443 1.097 . . . . 0.0 112.225 -171.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.2 p -144.84 158.37 43.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.585 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 41.0 m-85 -144.01 170.56 15.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.793 1.237 . . . . 0.0 108.358 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.2 OUTLIER -144.12 157.5 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.476 172.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpt -143.93 133.55 23.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -120.97 173.17 7.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.92 165.63 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.503 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.0 110.49 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.91 128.41 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 57.45 9.53 0.78 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.857 0.863 . . . . 0.0 112.75 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.53 -12.6 47.13 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.155 0.884 . . . . 0.0 111.667 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.2 174.17 11.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -134.19 145.86 49.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.21 164.38 30.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.774 0.43 . . . . 0.0 110.739 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -145.78 162.39 37.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.867 0.467 . . . . 0.0 109.833 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.18 111.27 0.36 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 76.3 p -86.15 171.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.315 0.557 . . . . 0.0 110.384 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.16 171.28 43.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -71.87 -17.69 62.1 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -147.69 171.05 16.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 109.685 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.27 -36.52 83.95 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.46 -41.03 80.77 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 118.077 0.399 . . . . 0.0 110.474 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -40.35 94.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.846 0.859 . . . . 0.0 109.704 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.26 48.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.37 0.268 . . . . 0.0 110.691 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -62.57 -33.39 74.86 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.94 89.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.485 0.584 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -69.48 -49.17 57.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.529 0.332 . . . . 0.0 110.703 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.73 84.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.021 0.529 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.17 73.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 122.112 0.165 . . . . 0.0 110.587 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -62.57 -39.21 92.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -67.0 -45.28 78.04 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.36 90.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.475 0.31 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.1 tt -63.04 -66.58 0.52 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.693 0.797 . . . . 0.0 109.433 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.14 60.38 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -71.72 -59.62 2.66 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.959 -0.463 . . . . 0.0 111.891 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.06 -30.31 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 117.833 0.288 . . . . 0.0 111.62 -174.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -88.64 -5.53 58.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.071 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 m120 58.01 23.22 9.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.547 0.739 . . . . 0.0 112.218 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.34 -164.28 1.31 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.601 1.16 . . . . 0.0 109.963 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -137.95 162.09 34.97 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.342 -1.313 . . . . 0.0 110.467 179.399 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.303 -3.397 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.914 3.714 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.248 -3.452 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 98.945 -3.755 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.18 -3.52 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.19 -3.51 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.389 -3.311 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 111.239 3.039 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.541 -3.159 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.794 -2.906 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.573 -3.127 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.086 -3.614 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.454 -3.246 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 110.928 2.728 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.776 -2.924 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.654 -3.046 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.367 -3.333 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.272 -3.428 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 112.095 3.895 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.06 -3.64 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 C5'-C4'-C3' 108.274 -4.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 111.115 2.915 . 0.296 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C5'-C4'-C3' 110.022 -3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C5'-C4'-C3' 110.231 -3.513 . 0.638 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.642 -3.058 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.37 -3.33 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.004 -3.696 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.309 -3.391 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 98.894 -3.806 . 0.487 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.411 " H2'" ' C8 ' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 98.903 -3.797 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . 0.411 ' C8 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.859 -2.841 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.114 -3.586 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.276 -3.424 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.176 -3.524 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C4'-C3'-C2' 99.196 -3.504 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.908 3.708 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-N19 111.514 3.314 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.062 -3.638 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.998 -3.702 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 98.833 -3.867 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.401 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.676 1 C4'-C3'-C2' 98.408 -4.292 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.401 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 112.009 3.809 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.546 ' N ' HO2' ' A' ' 14' ' ' ' G' . 51.6 Cg_exo . . . . . 0 N--CA 1.473 0.299 0 N-CA-C 112.499 0.153 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -139.46 -179.73 6.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.67 0.788 . . . . 0.0 109.962 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.16 172.84 14.54 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -129.98 -2.21 4.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.415 1.086 . . . . 0.0 109.919 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.419 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 29.1 p30 -62.09 163.08 14.61 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 124.255 1.022 . . . . 0.0 110.502 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.44 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 72.9 Cg_endo -72.42 -9.55 24.33 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.154 2.569 . . . . 0.0 111.386 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -52.09 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 122.893 0.477 . . . . 0.0 110.651 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.97 -44.89 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.15 -38.27 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.293 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 52' ' ' LEU . 3.8 tt -61.61 -56.65 17.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.64 -0.7 2.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.893 0.877 . . . . 0.0 112.968 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -117.76 -9.68 10.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.31 0.505 . . . . 0.0 111.599 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -102.89 -42.73 5.74 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.979 0.354 . . . . 0.0 110.239 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.7 79.21 8.76 Favored Pre-proline 0 N--CA 1.455 -0.194 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.07 -177.7 3.67 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.92 3.08 . . . . 0.0 109.702 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.55 28.57 5.96 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.066 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.7 -171.79 2.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.58 0.752 . . . . 0.0 110.111 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' B' ' 60' ' ' LYS . 11.1 ptpt -150.43 151.53 32.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.492 ' CG ' HG13 ' B' ' 79' ' ' VAL . 30.3 m-85 -121.24 157.76 29.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.348 0.594 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.06 156.84 43.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.594 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.542 ' C ' HD22 ' B' ' 64' ' ' LEU . 19.1 t80 -116.83 127.11 53.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 175.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.542 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.5 mm? -115.13 161.66 18.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.447 -173.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -51.12 166.28 0.1 Allowed 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -165.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.53 170.0 8.9 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.976 0.911 . . . . 0.0 112.144 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -152.96 172.59 16.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.901 0.88 . . . . 0.0 110.431 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.62 174.34 49.2 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.976 0.798 . . . . 0.0 113.015 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.83 171.73 12.01 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.507 0.723 . . . . 0.0 109.893 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.5 m -62.21 -31.06 71.55 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -83.84 -4.64 58.83 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.78 19.57 1.82 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.502 0.721 . . . . 0.0 110.462 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -55.1 151.51 9.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.108 0.963 . . . . 0.0 111.756 -172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -142.21 159.2 42.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.242 0.617 . . . . 0.0 109.821 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.64 174.6 10.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.755 1.222 . . . . 0.0 108.508 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.17 154.73 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 118.803 -1.159 . . . . 0.0 110.747 172.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mmm -121.84 155.5 35.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 87' ' ' GLU . 59.1 m -136.88 170.36 16.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 172.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.492 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.2 t -148.34 163.42 5.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 121.965 -0.459 . . . . 0.0 110.025 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -134.72 112.13 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.31 129.29 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.645 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 22.2 t70 57.71 7.36 0.55 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.768 0.827 . . . . 0.0 112.453 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.18 -11.4 44.13 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.625 1.107 . . . . 0.0 111.918 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -78.41 171.15 15.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -131.78 142.53 49.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.94 164.99 28.52 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.785 0.434 . . . . 0.0 110.804 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HA ' ' B' ' 78' ' ' SER . 35.4 tt0 -148.8 159.92 43.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.434 1.094 . . . . 0.0 108.089 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.83 109.53 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -83.3 167.04 17.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.026 0.413 . . . . 0.0 111.488 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.94 171.97 44.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.92 -18.29 62.03 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 117.379 0.589 . . . . 0.0 111.436 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -147.54 169.0 20.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.693 0.797 . . . . 0.0 109.373 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -67.11 -25.52 66.25 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -72.38 -49.19 35.82 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.125 0.57 . . . . 0.0 109.642 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.0 -39.25 87.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.883 1.273 . . . . 0.0 109.952 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.22 78.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -63.47 -34.88 78.75 Favored 'General case' 0 C--N 1.34 0.193 0 O-C-N 121.95 -0.469 . . . . 0.0 110.704 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.8 70.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.239 0.472 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.99 -47.79 17.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.343 0.257 . . . . 0.0 110.951 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.92 84.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.529 0.332 . . . . 0.0 110.517 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.46 -37.41 68.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.859 0.464 . . . . 0.0 110.756 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -63.66 -38.92 92.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -66.39 -45.78 78.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.52 83.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.331 0.252 . . . . 0.0 111.11 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.431 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.3 tt -66.03 -66.89 0.49 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.261 0.624 . . . . 0.0 109.575 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.24 -43.42 52.96 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -70.96 -58.86 3.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.021 -0.424 . . . . 0.0 111.801 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.42 -28.7 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.712 0.233 . . . . 0.0 111.385 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.4 m-30 -92.22 -4.77 53.64 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.949 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m120 58.68 24.49 12.22 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.471 0.708 . . . . 0.0 111.98 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.44 -168.31 1.82 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.108 0.963 . . . . 0.0 110.759 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' HIS . . . . . 0.48 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -131.95 -178.78 5.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 0.0 110.094 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.48 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.402 -177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.446 -3.254 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.898 3.698 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C4'-C3'-C2' 99.261 -3.439 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.059 -3.641 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.708 0 C4'-C3'-C2' 99.081 -3.619 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.128 -3.572 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 98.961 -3.739 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.53 -3.17 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.267 -3.433 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.757 -2.943 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.951 -2.749 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 98.916 -3.784 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.27 -3.43 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.546 HO2' ' N ' ' B' ' 43' ' ' PRO . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.454 -3.246 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.568 -3.132 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.202 -3.498 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.967 -3.733 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.346 -3.354 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 112.062 3.862 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.293 -3.407 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 100.119 -2.581 . 0.485 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 110.83 2.63 . 0.489 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C5'-C4'-C3' 111.73 -2.514 . 0.829 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C5'-C4'-C3' 110.449 -3.367 . 0.703 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.508 -3.192 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.756 -2.944 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 112.267 4.067 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 99.153 -3.547 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.951 -3.749 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 111.757 3.557 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.386 -3.314 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.953 -3.747 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.246 -3.454 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.352 -3.348 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.257 -3.443 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.227 -3.473 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 111.577 3.377 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 98.838 -3.862 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.753 3.553 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 98.786 -3.914 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.404 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.657 1 C4'-C3'-C2' 98.299 -4.401 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.404 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 112.093 3.893 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.579 0 CA-C-O 120.121 -0.033 . . . . 0.0 112.082 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t 53.48 16.41 0.9 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.019 0.928 . . . . 0.0 113.311 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.37 -5.2 27.51 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 121.674 -0.641 . . . . 0.0 112.991 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -72.3 -4.53 30.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.718 0.759 . . . . 0.0 111.807 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -60.29 153.22 59.78 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 122.602 0.361 . . . . 0.0 110.455 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' B' ' 51' ' ' ILE . 82.2 Cg_endo -75.83 -13.77 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.281 2.654 . . . . 0.0 112.128 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.27 -50.74 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.432 0.293 . . . . 0.0 110.417 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.85 -32.24 70.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.342 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.3 mt -58.3 -53.49 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.87 -49.66 72.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.22 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -70.7 -2.04 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -110.61 -26.47 9.43 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 119.141 0.882 . . . . 0.0 110.279 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 109' ' ' PHE . 1.3 tt -82.35 -58.02 3.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -145.42 81.48 10.24 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 123.195 0.598 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.39 179.34 5.16 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.238 2.625 . . . . 0.0 110.021 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 54.63 0.8 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.93 -174.87 3.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 110.369 -176.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.2 mtmt -143.74 109.07 5.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.835 0.454 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.478 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -86.01 152.95 22.5 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.202 0.525 . . . . 0.0 111.165 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -141.13 113.99 8.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.335 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -68.85 148.42 50.28 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.06 0.544 . . . . 0.0 110.254 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.32 160.33 34.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.892 0.877 . . . . 0.0 110.045 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.7 m -53.09 175.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.979 2.111 . . . . 0.0 115.573 -168.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.421 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -113.64 172.39 7.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.226 1.01 . . . . 0.0 112.497 -174.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.7 m -154.33 174.38 14.91 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.617 1.167 . . . . 0.0 110.063 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.41 176.06 44.11 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.751 0.691 . . . . 0.0 113.267 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.44 171.04 12.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.451 0.7 . . . . 0.0 109.965 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.1 m -63.31 -28.9 70.32 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -84.83 -7.61 59.12 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.28 22.24 2.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.824 0.849 . . . . 0.0 110.078 -177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -55.11 153.79 6.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 111.632 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.9 p -141.39 159.65 41.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.203 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 30.6 m-85 -145.19 173.19 12.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.923 1.289 . . . . 0.0 107.714 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.3 OUTLIER -147.01 159.08 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.202 176.103 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.3 mmm -127.46 155.91 42.96 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 91.6 p -132.98 169.23 17.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.2 160.38 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.939 179.435 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.7 t -132.48 109.76 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.57 137.53 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.06 10.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.07 0.548 . . . . 0.0 112.433 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.86 -11.23 68.1 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.802 0.715 . . . . 0.0 111.406 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.51 169.27 18.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -132.09 144.45 50.74 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.0 167.26 22.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.824 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -147.04 161.98 39.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.909 0.883 . . . . 0.0 109.351 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.63 113.46 0.42 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 77.4 p -86.7 170.59 11.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.198 0.499 . . . . 0.0 110.98 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.43 172.55 44.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -70.58 -22.91 62.52 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.206 0.503 . . . . 0.0 111.522 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -143.33 168.21 20.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.99 0.916 . . . . 0.0 108.787 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -63.9 -30.13 71.25 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -77.23 -40.15 45.94 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.175 0.443 . . . . 0.0 110.624 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.96 -39.24 87.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.599 0.76 . . . . 0.0 109.052 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.56 92.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.834 0.454 . . . . 0.0 110.83 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -64.11 -35.02 79.38 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 122.091 -0.381 . . . . 0.0 110.624 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.37 72.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.311 0.505 . . . . 0.0 110.448 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -74.01 -53.2 10.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.389 0.276 . . . . 0.0 110.658 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.99 85.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.981 0.512 . . . . 0.0 111.117 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.52 70.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.645 0.378 . . . . 0.0 110.794 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.95 -38.5 88.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.041 -0.412 . . . . 0.0 110.058 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -66.01 -43.68 86.99 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 118.094 0.406 . . . . 0.0 110.092 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.28 92.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.768 0.427 . . . . 0.0 110.414 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.41 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.9 tt -60.71 -65.19 0.73 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.941 0.896 . . . . 0.0 109.9 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.15 21.46 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 88.8 m -93.76 -58.38 2.28 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.731 0.696 . . . . 0.0 111.064 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.49 -27.51 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 122.804 0.442 . . . . 0.0 111.152 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' B' ' 55' ' ' LEU . 3.7 m-30 -94.89 -5.68 44.38 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.214 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.6 m120 58.81 21.95 9.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.554 0.742 . . . . 0.0 112.433 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.59 -167.7 1.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.899 0.88 . . . . 0.0 110.803 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 32.1 t-80 -130.37 -178.03 4.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.382 0.673 . . . . 0.0 110.135 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.499 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.085 -1.436 . . . . 0.0 110.404 -177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 112.054 3.854 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.297 -3.403 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.028 -3.672 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.0 -3.7 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.43 -3.27 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.08 -3.62 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.425 -3.275 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.574 -3.126 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 N19-C1'-C2' 109.107 -2.683 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.477 -3.223 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.065 -3.635 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.271 -3.429 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.475 -3.225 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C5'-C4'-O4' 112.921 2.658 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-C3' 109.26 -4.16 . 0.447 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.415 -3.285 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.941 -3.759 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 98.902 -3.798 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.528 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-O3' 118.078 2.876 OUTLIER-EPSILON 0.439 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.453 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.73 1 P-O3'-C3' 125.508 4.84 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.528 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 112.387 4.187 . 0.37 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 C5'-C4'-C3' 111.554 -2.631 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 111.145 -2.903 . 0.08 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.618 -3.082 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.821 -2.879 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 112.089 3.889 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.12 -3.58 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.499 -3.201 . 0.331 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 99.549 -3.151 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.574 -3.126 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.183 -3.517 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.322 -3.378 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.159 -3.541 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.199 -3.501 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 111.859 3.659 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.417 -3.283 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.05 -3.65 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.017 -3.683 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 98.954 -3.746 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.404 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 C4'-C3'-C2' 98.401 -4.299 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.404 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 112.054 3.854 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo . . . . . 0 N--CA 1.47 0.122 0 CA-C-O 120.291 0.038 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.0 p -69.38 -7.24 35.71 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.964 0.505 . . . . 0.0 112.005 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.03 177.13 47.38 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.15 178.15 4.01 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.353 0.596 . . . . 0.0 111.211 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.507 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 51.9 m-80 -118.08 167.01 12.16 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 57.3 Cg_endo -69.94 -14.12 35.1 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.817 1.678 . . . . 0.0 110.659 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.76 -49.17 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.148 0.579 . . . . 0.0 109.918 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -71.11 -33.69 70.39 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 119.24 -0.41 . . . . 0.0 111.773 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 56.6 mt -59.56 -54.09 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.16 -50.17 74.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.689 0.796 . . . . 0.0 109.688 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -65.22 -10.28 30.46 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.459 0.704 . . . . 0.0 112.637 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -106.77 -30.18 9.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.508 0.595 . . . . 0.0 111.045 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.1 tt -79.71 -48.32 13.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.424 -0.173 . . . . 0.0 110.823 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -152.41 80.33 5.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -71.94 -179.69 4.08 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.508 2.806 . . . . 0.0 110.336 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.91 56.08 1.26 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.22 -171.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.826 1.251 . . . . 0.0 109.572 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -143.99 104.24 4.12 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.591 0.356 . . . . 0.0 111.538 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.455 ' CG ' HG13 ' B' ' 79' ' ' VAL . 54.4 m-85 -82.19 150.9 27.15 Favored 'General case' 0 N--CA 1.458 -0.056 0 CA-C-O 121.247 0.546 . . . . 0.0 110.916 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -141.28 112.78 7.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.265 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -68.49 148.4 50.64 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 122.961 0.505 . . . . 0.0 110.141 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.54 159.99 35.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.028 0.931 . . . . 0.0 109.973 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -52.88 174.74 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.968 2.107 . . . . 0.0 115.739 -168.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -119.16 173.5 6.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.328 1.051 . . . . 0.0 112.554 -175.039 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.2 t -160.79 176.33 11.61 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.882 0.873 . . . . 0.0 109.94 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.0 174.75 50.46 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.031 0.824 . . . . 0.0 113.544 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.93 173.86 12.11 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.33 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.0 m -68.84 -9.37 50.99 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -114.0 -3.15 13.37 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.323 0.649 . . . . 0.0 111.578 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.56 17.84 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.37 1.068 . . . . 0.0 109.461 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -55.36 152.05 9.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.405 1.082 . . . . 0.0 111.436 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p -141.38 157.92 44.55 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 40.5 m-85 -144.11 172.43 12.9 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.202 1.401 . . . . 0.0 107.358 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -147.95 156.98 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 118.198 -1.401 . . . . 0.0 111.26 175.278 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mmm -124.89 155.15 39.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 174.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 93.7 p -132.81 169.05 17.3 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.84 159.51 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.26 109.46 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.403 HG13 HG21 ' B' ' 108' ' ' VAL . 2.3 p -133.6 137.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.25 11.15 0.73 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.462 0.705 . . . . 0.0 112.567 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.28 -10.93 65.5 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 123.901 0.762 . . . . 0.0 111.637 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.0 169.45 17.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.59 143.86 50.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.673 0.389 . . . . 0.0 110.088 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.35 166.75 23.71 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.57 0.348 . . . . 0.0 111.751 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -147.04 162.56 38.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.765 0.826 . . . . 0.0 109.334 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 108.16 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 80.7 p -85.67 166.81 15.87 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 117.291 0.545 . . . . 0.0 110.892 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.77 173.07 43.93 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -72.23 -15.52 61.93 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 117.185 0.492 . . . . 0.0 112.061 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -152.47 166.94 30.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.271 1.028 . . . . 0.0 109.451 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.23 -38.69 87.56 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.6 -43.07 81.38 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 122.533 0.333 . . . . 0.0 110.744 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.76 -40.08 79.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.458 0.703 . . . . 0.0 109.977 -178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.06 93.69 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 111.132 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.15 -35.7 81.92 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.021 -0.425 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.55 71.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.256 0.48 . . . . 0.0 110.46 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -74.91 -51.44 13.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.412 0.285 . . . . 0.0 110.986 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.72 88.59 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.692 0.397 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -36.0 70.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.634 0.373 . . . . 0.0 110.781 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -66.58 -35.71 80.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -68.71 -44.88 72.98 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.68 86.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.901 0.48 . . . . 0.0 110.271 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.433 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.7 tt -61.53 -65.01 0.76 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.859 . . . . 0.0 109.834 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.87 -12.24 4.22 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -101.08 -58.42 1.89 Allowed 'General case' 0 N--CA 1.458 -0.04 0 CA-C-N 118.797 0.726 . . . . 0.0 111.195 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 HG13 ' B' ' 81' ' ' VAL . 60.8 t -66.22 -27.88 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.498 0.319 . . . . 0.0 111.364 -175.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -92.75 -5.21 51.7 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.379 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 58.67 20.4 7.72 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.544 0.738 . . . . 0.0 112.23 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.66 -164.22 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.489 1.116 . . . . 0.0 110.179 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -138.47 162.16 35.2 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.477 179.286 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.376 -3.324 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.676 3.476 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 99.281 -3.419 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.307 -3.393 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.242 -3.458 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.274 -3.426 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.234 -3.466 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.382 -3.318 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.332 -3.368 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.664 -3.036 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.401 -3.299 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 98.808 -3.892 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.26 -3.44 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.407 -3.293 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.719 -2.981 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.417 -3.283 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.398 -3.302 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.307 -3.393 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 1 O4'-C1'-N19 112.278 4.078 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.137 -3.563 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.696 2.496 . 0.428 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 110.758 2.558 . 0.464 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 O4'-C1'-N19 110.767 2.567 . 0.815 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 C5'-C4'-C3' 110.712 -3.192 . 0.715 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.397 -3.303 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.625 -3.075 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.929 3.729 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 1 C5'-C4'-C3' 109.348 -4.101 . 0.42 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.604 -3.096 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C4'-C3'-C2' 99.284 -3.416 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.665 -3.035 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.077 -3.623 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.371 -3.329 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C4'-C3'-C2' 99.229 -3.471 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.073 -3.627 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.232 -3.468 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.122 2.922 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 1 C5'-C4'-C3' 109.373 -4.085 . 0.797 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.016 -3.684 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 98.928 -3.772 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.41 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.707 1 C4'-C3'-C2' 98.551 -4.149 . 0.814 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.41 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 O4'-C1'-N19 111.967 3.767 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.434 0 CA-C-O 120.523 0.135 . . . . 0.0 112.157 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -141.7 6.0 1.81 Allowed 'General case' 0 C--O 1.231 0.094 0 C-N-CA 122.977 0.511 . . . . 0.0 111.457 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.23 -170.24 40.8 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -63.08 173.12 1.51 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.705 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.502 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 14.4 m120 -130.31 166.82 23.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 60.5 Cg_endo -71.9 -11.79 27.86 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.265 1.977 . . . . 0.0 110.746 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.04 -47.93 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.236 0.614 . . . . 0.0 110.052 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 9.0 mmt -69.98 -54.15 14.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.582 0.353 . . . . 0.0 111.638 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 13.8 pt -56.64 -29.67 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.466 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -69.37 -54.55 13.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -68.17 8.0 0.49 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.097 1.359 . . . . 0.0 112.719 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.13 -35.56 3.44 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 9.8 mt -63.66 -57.87 8.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.018 0.927 . . . . 0.0 109.558 174.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -157.55 95.06 2.08 Favored Pre-proline 0 N--CA 1.452 -0.351 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -72.34 176.87 8.03 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.185 2.59 . . . . 0.0 110.201 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.46 61.89 0.69 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -177.16 4.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.125 0.97 . . . . 0.0 110.42 -178.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 39.8 mtmt -140.92 104.65 4.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.474 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.4 m-85 -83.15 152.99 25.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.252 0.549 . . . . 0.0 110.646 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.07 112.13 7.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.956 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -68.64 147.72 51.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.858 0.463 . . . . 0.0 110.152 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.57 159.83 35.14 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.82 0.848 . . . . 0.0 109.706 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.7 p -53.82 175.38 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.504 1.922 . . . . 0.0 115.49 -168.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.39 173.04 7.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.898 0.879 . . . . 0.0 112.277 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.0 p -160.76 175.57 12.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 110.607 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.96 173.0 48.69 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 123.874 0.75 . . . . 0.0 112.923 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -78.47 175.29 10.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.477 0.711 . . . . 0.0 110.257 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m -64.83 -33.14 75.3 Favored 'General case' 0 CA--C 1.527 0.07 0 O-C-N 121.925 -0.484 . . . . 0.0 112.245 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -84.79 -4.48 59.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.308 0.643 . . . . 0.0 112.453 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 19.99 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.265 0.626 . . . . 0.0 110.664 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -55.36 147.37 17.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.679 0.792 . . . . 0.0 111.186 -174.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m -140.6 158.58 43.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.162 0.585 . . . . 0.0 109.962 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.5 m-85 -142.9 174.78 10.36 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.036 1.335 . . . . 0.0 107.965 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.34 158.64 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 118.464 -1.294 . . . . 0.0 111.512 174.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.7 mmm -127.48 157.04 41.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.0 p -134.0 168.98 17.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 168.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.05 161.95 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.07 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.34 109.42 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 171.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.19 127.62 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.19 8.44 0.56 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.052 0.941 . . . . 0.0 112.916 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 -12.49 37.98 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.167 0.889 . . . . 0.0 111.84 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.73 173.29 12.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -133.39 145.36 50.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -141.25 166.59 24.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.524 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -145.92 161.74 39.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.677 0.791 . . . . 0.0 109.37 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.88 107.23 0.23 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.2 p -83.64 166.94 17.73 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.413 0.607 . . . . 0.0 110.716 175.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.55 172.11 42.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.29 -22.71 63.78 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 117.178 0.489 . . . . 0.0 111.637 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -145.79 172.35 13.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.67 -41.03 94.26 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -71.85 -41.25 68.32 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 122.983 0.513 . . . . 0.0 111.374 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.71 -40.11 88.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.971 0.508 . . . . 0.0 109.741 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.35 93.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.627 0.371 . . . . 0.0 110.784 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.42 -36.94 85.8 Favored 'General case' 0 C--O 1.226 -0.171 0 O-C-N 122.159 -0.338 . . . . 0.0 110.46 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.99 0.359 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.64 -51.75 10.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.188 0.195 . . . . 0.0 110.595 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.16 86.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.543 0.337 . . . . 0.0 110.815 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.8 65.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.865 0.466 . . . . 0.0 110.742 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -69.41 -41.0 76.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.0 m -65.72 -42.81 90.62 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.79 78.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.588 0.355 . . . . 0.0 110.332 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.82 -49.76 67.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.438 -0.164 . . . . 0.0 110.588 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -18.22 40.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.0 m -103.47 -52.51 2.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.17 0.441 . . . . 0.0 111.807 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.6 -16.56 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 81.0 m-85 -118.88 -3.22 10.75 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 m120 57.92 19.1 5.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.296 0.638 . . . . 0.0 112.067 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.1 mt -121.62 97.63 5.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.286 1.034 . . . . 0.0 109.452 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.21 151.67 26.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.823 -178.42 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.748 -2.952 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.667 3.467 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.283 -3.417 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.397 -3.303 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 1 C5'-C4'-C3' 109.146 -4.236 . 0.807 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.48 -3.22 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.174 -3.526 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.289 -3.411 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.162 -3.538 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.761 -2.939 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.502 -3.198 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.904 -3.796 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.249 -3.451 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.239 -3.461 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.944 -2.756 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.554 -3.146 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.114 -3.586 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.149 -3.551 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 1 O4'-C1'-N19 112.257 4.057 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.267 -3.433 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.771 2.571 . 0.521 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 110.645 2.445 . 0.519 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C5'-C4'-C3' 111.611 -2.593 . 0.821 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-C3' 110.817 -3.122 . 0.691 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.377 -3.323 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.492 -3.208 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 112.111 3.911 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.729 -2.971 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.818 -3.882 . 0.443 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 111.834 3.634 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.011 -3.689 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.794 3.594 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.347 -3.353 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C4'-C3'-C2' 99.059 -3.641 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 98.996 -3.704 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.256 -3.444 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.111 2.911 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 C5'-C4'-C3' 109.228 -4.181 . 0.83 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 98.871 -3.829 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 98.856 -3.844 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 1 C4'-C3'-C2' 98.503 -4.197 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 O4'-C1'-N19 112.071 3.871 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.487 0 CA-C-O 120.31 0.046 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.1 m -69.81 -5.48 25.85 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.263 0.625 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.31 -4.65 86.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 123.275 0.464 . . . . 0.0 112.434 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.52 -0.96 22.07 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 117.729 0.765 . . . . 0.0 111.891 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -54.03 110.8 2.29 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 122.897 0.479 . . . . 0.0 109.862 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.4 Cg_endo -76.94 -13.36 17.53 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 123.862 3.041 . . . . 0.0 111.732 -169.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.8 -47.68 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.1 tpp -72.53 -46.29 55.27 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.904 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 5.7 pt -61.3 -37.58 77.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.125 0 CA-C-N 118.891 0.769 . . . . 0.0 111.088 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.69 -50.26 74.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.48 -9.13 31.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.45 1.1 . . . . 0.0 113.163 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.95 -17.37 14.21 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.508 0.594 . . . . 0.0 111.331 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -97.75 -44.36 6.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -155.53 79.63 4.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.4 177.28 6.19 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.371 2.714 . . . . 0.0 110.542 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.13 59.49 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.88 -175.98 4.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.151 0.981 . . . . 0.0 110.365 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -138.24 149.28 45.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.448 ' CG ' HG13 ' B' ' 79' ' ' VAL . 36.5 m-85 -126.79 153.59 45.39 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -140.7 112.8 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.335 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.44 148.06 51.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.772 0.429 . . . . 0.0 110.028 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -130.37 160.34 34.28 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.72 0.808 . . . . 0.0 109.97 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -51.87 174.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 127.073 2.149 . . . . 0.0 115.656 -168.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -118.0 174.98 5.89 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.122 0.969 . . . . 0.0 112.462 -174.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.58 173.88 16.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.99 0.916 . . . . 0.0 110.015 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.63 52.15 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 123.166 0.412 . . . . 0.0 112.4 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -100.61 174.95 5.84 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.938 0.895 . . . . 0.0 110.185 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -0.54 0.64 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -119.6 -0.07 10.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.779 0.718 . . . . 0.0 111.546 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.35 15.44 1.3 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.104 0.962 . . . . 0.0 110.11 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -55.22 146.84 17.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.538 1.135 . . . . 0.0 112.017 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -142.25 159.2 42.69 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.383 0.673 . . . . 0.0 109.917 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.435 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 28.5 m-85 -143.61 174.0 11.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.156 1.383 . . . . 0.0 108.197 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -147.32 159.26 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.349 175.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.8 mmm -127.32 157.4 40.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.784 1.234 . . . . 0.0 108.133 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -134.18 170.3 15.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 168.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.5 t -147.69 164.89 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.14 108.9 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.2 125.64 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.782 -174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 7.4 t70 60.69 5.32 0.9 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.192 0.997 . . . . 0.0 112.821 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.73 -13.0 29.89 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.218 0.913 . . . . 0.0 111.675 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.81 173.63 12.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -133.36 145.85 50.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.79 166.99 23.22 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.599 0.36 . . . . 0.0 111.538 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.34 161.0 41.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.611 0.765 . . . . 0.0 109.731 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.09 116.65 0.58 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.3 p -93.39 167.89 11.43 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 117.173 0.486 . . . . 0.0 111.219 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.3 170.77 43.94 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.38 -16.39 62.96 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -147.75 169.53 19.54 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LYS . . . . . 0.573 ' H ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -66.82 -25.88 66.66 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -175.766 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.6 -49.25 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.633 0.652 . . . . 0.0 110.259 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.33 -39.03 93.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.985 0.914 . . . . 0.0 109.628 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.25 74.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.746 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -64.13 -34.63 78.5 Favored 'General case' 0 C--O 1.225 -0.213 0 O-C-N 122.037 -0.414 . . . . 0.0 110.508 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.63 74.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.299 0.499 . . . . 0.0 110.444 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -75.12 -47.42 28.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.531 0.332 . . . . 0.0 110.779 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.823 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.86 68.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.223 0.609 . . . . 0.0 110.693 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -66.36 -38.23 87.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -67.18 -43.99 80.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.375 0.27 . . . . 0.0 110.484 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.88 -60.39 3.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.528 0.731 . . . . 0.0 109.869 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.1 19.0 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 98.2 m -99.86 -53.33 3.19 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 118.536 0.607 . . . . 0.0 111.866 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.47 -31.99 55.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 118.114 0.416 . . . . 0.0 111.195 -176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -90.59 -9.83 45.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.097 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.4 m120 57.65 19.4 5.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.359 0.663 . . . . 0.0 111.64 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.4 109.09 10.79 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 124.548 1.139 . . . . 0.0 109.619 -177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.81 159.72 15.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.647 -1.168 . . . . 0.0 111.157 179.723 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.398 -3.302 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.766 3.566 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C4'-C3'-C2' 99.249 -3.451 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 98.879 -3.821 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 N19-C1'-C2' 108.595 -3.003 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.05 -3.65 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.057 -3.643 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.435 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.09 -3.61 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.465 -3.235 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.709 -2.991 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.261 -3.439 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 98.856 -3.844 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.583 -3.117 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 100.0 -2.7 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.619 -3.081 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.307 -3.393 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.158 -3.542 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.273 -3.427 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 112.114 3.914 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.28 -3.42 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 110.677 2.477 . 0.534 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 110.651 2.451 . 0.518 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C5'-C4'-C3' 111.749 -2.501 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C5'-C4'-C3' 110.795 -3.137 . 0.696 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.455 -3.245 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.517 -3.183 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.821 3.621 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.775 -3.925 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 1 C5'-C4'-C3' 109.231 -4.18 . 0.263 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.567 -3.133 . 0.261 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.597 -3.103 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.889 3.689 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.345 -3.355 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.089 -3.611 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.215 -3.485 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.198 -3.502 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 O4'-C1'-N19 111.167 2.967 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 C5'-C4'-C3' 109.479 -4.014 . 0.872 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.148 -3.552 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 98.825 -3.875 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.405 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 C4'-C3'-C2' 98.365 -4.335 . 0.811 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 112.106 3.906 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo . . . . . 0 CA--C 1.53 0.277 0 N-CA-C 112.352 0.097 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.0 p -144.18 179.52 7.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 110.019 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.27 179.78 19.82 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.96 -1.68 10.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 0.0 112.051 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.403 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 25.8 p30 -142.77 163.85 35.99 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 123.729 0.811 . . . . 0.0 110.274 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.505 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.4 Cg_endo -73.06 -12.37 25.8 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.953 2.435 . . . . 0.0 111.231 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.39 -54.56 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.714 0.806 . . . . 0.0 110.332 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.7 ttm -69.44 -30.32 68.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.017 0.376 . . . . 0.0 112.017 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' B' ' 48' ' ' PRO . 52.8 mt -58.98 -52.73 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.74 -49.54 74.92 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.329 1.052 . . . . 0.0 109.657 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -68.67 -5.83 22.52 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -103.94 -37.29 7.45 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.04 0.836 . . . . 0.0 110.23 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.5 tt -73.31 -49.36 27.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.419 0.288 . . . . 0.0 110.891 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -153.65 78.21 5.65 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.7 174.24 10.62 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.113 2.542 . . . . 0.0 110.017 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.19 51.73 0.81 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.05 -177.85 4.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.998 0.919 . . . . 0.0 110.801 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -140.95 105.45 4.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.496 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -84.41 154.95 22.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.265 0.555 . . . . 0.0 110.821 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.12 161.28 37.19 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.531 170.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -118.7 139.09 52.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.94 158.94 29.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.38 0.672 . . . . 0.0 109.957 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -54.35 172.05 0.1 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 126.021 1.728 . . . . 0.0 115.463 -167.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.87 175.88 5.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 112.425 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -149.53 169.07 21.78 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.245 1.018 . . . . 0.0 109.069 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.92 174.18 46.73 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.28 75.38 1.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.992 0.517 . . . . 0.0 110.762 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 44.5 m 63.72 -0.36 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.972 1.309 . . . . 0.0 113.208 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -138.09 151.06 47.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 47.92 20.19 0.22 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.85 0.46 . . . . 0.0 111.701 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -57.87 147.74 27.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 110.395 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 83.5 p -145.25 158.98 43.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -144.36 170.59 15.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.342 1.457 . . . . 0.0 107.525 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.13 157.54 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 118.378 -1.329 . . . . 0.0 111.537 175.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mmm -126.31 156.71 39.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.857 1.263 . . . . 0.0 107.867 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -130.86 170.41 14.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.496 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.4 161.92 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.217 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.49 110.23 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.18 127.01 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.681 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t70 57.1 8.94 0.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.882 0.873 . . . . 0.0 112.894 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.56 -12.67 39.26 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.12 0.867 . . . . 0.0 111.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.29 172.78 13.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -133.75 144.68 49.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.93 166.36 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.686 0.395 . . . . 0.0 111.545 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.42 162.62 37.84 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.572 0.749 . . . . 0.0 109.422 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.86 110.71 0.32 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 82.2 p -90.38 166.04 13.51 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.194 0.497 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.68 171.68 43.84 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -73.8 -13.19 60.9 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 117.337 0.568 . . . . 0.0 112.504 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -147.86 170.26 18.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.731 0.813 . . . . 0.0 109.359 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.9 -32.77 74.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -67.63 -51.61 47.98 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 123.568 0.747 . . . . 0.0 110.724 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.47 -39.5 94.62 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.428 1.091 . . . . 0.0 109.671 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.38 85.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.936 0.494 . . . . 0.0 111.109 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -65.39 -40.37 93.38 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 122.034 -0.416 . . . . 0.0 110.52 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.12 71.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.045 0.384 . . . . 0.0 110.591 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.6 -54.15 8.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.767 0.427 . . . . 0.0 110.758 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.22 77.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.592 0.357 . . . . 0.0 110.984 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.73 71.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.134 0.574 . . . . 0.0 110.529 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.55 -36.56 84.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -66.14 -45.92 79.32 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.087 0.403 . . . . 0.0 110.058 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.43 89.15 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.404 0.281 . . . . 0.0 110.531 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.426 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.9 tt -62.18 -65.8 0.63 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 109.626 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.34 -11.41 4.18 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -100.92 -58.39 1.9 Allowed 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.744 0.702 . . . . 0.0 111.063 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.54 -29.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.663 0.211 . . . . 0.0 111.107 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -89.86 -5.37 56.9 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.448 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.27 20.21 6.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.408 0.683 . . . . 0.0 112.343 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.3 -164.94 1.22 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.51 1.124 . . . . 0.0 110.096 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -137.69 161.83 35.46 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.276 -1.345 . . . . 0.0 110.528 179.3 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.296 -3.404 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 111.963 3.763 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.162 -3.538 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 98.848 -3.852 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.367 -3.333 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.16 -3.54 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.417 -3.283 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.431 -3.269 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.306 -3.394 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.896 -2.804 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.665 -3.035 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 98.993 -3.707 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.388 -3.312 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.401 -3.299 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.438 -3.262 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.606 -3.094 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.266 -3.434 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C4'-C3'-C2' 98.981 -3.719 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 1 O4'-C1'-N19 112.333 4.133 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.202 -3.498 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.671 2.471 . 0.446 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 110.694 2.494 . 0.475 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C5'-C4'-C3' 111.424 -2.717 . 0.83 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 111.151 -2.899 . 0.704 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.178 -3.522 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.464 -3.236 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 111.836 3.636 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.121 -3.579 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.916 -3.784 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.151 -3.549 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.402 -3.298 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.065 -3.635 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.499 -3.201 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.309 -3.391 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.13 -3.57 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.702 3.502 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 O4'-C1'-N19 111.264 3.064 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 108.835 -4.443 . 0.659 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C4'-C3'-C2' 99.019 -3.681 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.276 -3.424 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.405 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 C4'-C3'-C2' 98.33 -4.37 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 112.164 3.964 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.599 ' N ' HO2' ' A' ' 30' ' ' ' C' . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.171 0 N-CA-C 112.693 0.228 . . . . 0.0 112.693 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 p -71.07 170.79 12.12 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.925 0.49 . . . . 0.0 111.042 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.8 5.47 57.25 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.687 -0.507 . . . . 0.0 113.191 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.49 -13.98 62.53 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 112.389 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.539 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 82.6 m-20 -135.52 166.35 29.36 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 123.703 0.801 . . . . 0.0 109.779 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 81.2 Cg_endo -75.74 -7.47 18.51 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.377 2.718 . . . . 0.0 110.633 -177.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.57 -49.97 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.466 0.706 . . . . 0.0 110.673 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 34.8 mtp -74.64 -41.44 60.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.922 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.5 -33.58 51.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.406 HD23 ' C ' ' B' ' 52' ' ' LEU . 4.7 tt -63.49 -57.51 9.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -64.0 -0.44 1.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.954 1.302 . . . . 0.0 113.796 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -120.99 -14.61 8.42 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.894 0.77 . . . . 0.0 111.876 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -93.44 -51.26 5.05 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -153.81 81.95 4.66 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.98 174.38 8.92 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.947 2.431 . . . . 0.0 109.499 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.04 49.32 0.3 Allowed Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' B' ' 61' ' ' TYR . 0.4 OUTLIER -128.96 -177.8 4.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.648 0.779 . . . . 0.0 109.67 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 52.4 mtmt -147.04 99.89 3.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.333 0.653 . . . . 0.0 110.126 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.46 ' CE1' HD22 ' B' ' 59' ' ' LEU . 73.6 m-85 -77.69 154.25 32.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.674 0.75 . . . . 0.0 111.886 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -137.14 163.81 29.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.071 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -122.57 137.93 54.74 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.05 158.5 29.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.391 0.676 . . . . 0.0 110.121 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.5 m -54.53 170.62 0.15 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.746 1.618 . . . . 0.0 115.177 -166.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.22 174.19 6.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.971 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -157.6 173.49 16.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.507 0.723 . . . . 0.0 110.203 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.56 175.71 50.46 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.68 0.657 . . . . 0.0 112.727 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.44 174.79 9.78 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.523 0.729 . . . . 0.0 110.506 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m -65.07 -5.97 7.75 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -118.36 0.56 11.69 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.5 0.72 . . . . 0.0 111.646 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.68 16.84 2.17 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.301 1.04 . . . . 0.0 109.599 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -58.07 150.97 19.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.743 1.217 . . . . 0.0 112.179 -172.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -142.37 157.38 44.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.16 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -142.26 169.92 16.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.869 1.268 . . . . 0.0 107.736 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.24 157.09 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 118.341 -1.344 . . . . 0.0 111.067 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.42 154.73 43.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.833 1.253 . . . . 0.0 107.705 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.0 p -129.63 169.98 14.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.3 t -145.39 153.1 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.45 99.02 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.601 HG12 ' H ' ' B' ' 82' ' ' ASP . 3.2 t -77.16 -133.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.158 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ASP . . . . . 0.601 ' H ' HG12 ' B' ' 81' ' ' VAL . 38.8 t70 -49.79 -5.37 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.328 2.251 . . . . 0.0 113.417 172.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 141.08 -14.55 2.81 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.291 0.948 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.94 165.41 23.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -125.67 143.86 50.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.724 0.409 . . . . 0.0 110.097 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -141.68 165.74 26.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.08 162.51 39.24 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.182 0.593 . . . . 0.0 109.866 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.72 116.29 0.58 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -98.78 160.55 14.19 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.264 0.532 . . . . 0.0 110.25 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.95 169.04 41.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ptm85 -70.3 -14.4 62.57 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.17 166.94 23.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.631 0.772 . . . . 0.0 108.932 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.12 -27.53 67.4 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -70.44 -50.83 34.2 Favored 'General case' 0 C--N 1.337 0.054 0 CA-C-N 118.176 0.444 . . . . 0.0 110.506 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.97 -39.83 95.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.482 1.113 . . . . 0.0 109.709 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.6 79.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.821 0.448 . . . . 0.0 110.844 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.36 -39.48 89.18 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 122.167 -0.333 . . . . 0.0 110.728 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.61 73.55 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.266 0.485 . . . . 0.0 110.796 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -71.38 -49.97 36.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.093 0.557 . . . . 0.0 110.928 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.4 72.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.708 0.403 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.71 -39.57 66.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.142 0.577 . . . . 0.0 110.791 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -62.35 -37.66 86.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 63.9 m -68.5 -44.37 74.83 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.92 88.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.961 0.504 . . . . 0.0 110.879 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.435 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.2 tt -63.6 -69.99 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.578 0.751 . . . . 0.0 109.757 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.85 -48.43 21.0 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.7 m -67.77 -58.18 5.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.95 -29.07 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 118.089 0.404 . . . . 0.0 111.397 -175.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.4 m-30 -87.65 -5.22 58.81 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.99 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 m120 58.41 25.14 12.55 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.67 0.788 . . . . 0.0 111.978 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -127.19 -167.34 1.72 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.208 1.003 . . . . 0.0 110.581 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' HIS . . . . . 0.462 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -134.0 -179.53 5.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.347 0.659 . . . . 0.0 109.859 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.462 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 23.8 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.217 -1.373 . . . . 0.0 110.507 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.663 -3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.718 3.518 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C4'-C3'-C2' 99.171 -3.529 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.286 -3.414 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 1 C5'-C4'-C3' 109.408 -4.062 . 0.829 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.778 -2.922 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.331 -3.369 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.431 -3.269 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.503 -3.197 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.844 -2.856 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.641 -3.059 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.045 -3.655 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.375 -3.325 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.588 -3.112 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.721 -2.979 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.257 -3.443 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.303 -3.397 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.048 -3.652 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 O4'-C1'-N19 112.145 3.945 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.241 -3.459 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 110.694 2.494 . 0.433 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 110.599 2.399 . 0.469 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C5'-C4'-C3' 111.399 -2.734 . 0.833 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C5'-C4'-C3' 111.114 -2.924 . 0.706 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.485 -3.215 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.542 -3.158 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.897 3.697 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.558 -3.142 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 98.722 -3.978 . 0.576 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.599 HO2' ' N ' ' B' ' 43' ' ' PRO . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.498 3.298 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . 0.412 ' C8 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.75 -2.95 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.749 3.549 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.246 -3.454 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C4'-C3'-C2' 99.08 -3.62 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.144 -3.556 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.615 3.415 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.005 2.805 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 C5'-C4'-C3' 108.764 -4.49 . 0.858 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 98.932 -3.768 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 98.979 -3.721 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 1 C4'-C3'-C2' 98.453 -4.247 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.969 3.769 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.369 0 CA-C-O 120.471 0.113 . . . . 0.0 112.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -67.9 177.1 2.26 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.255 0.622 . . . . 0.0 111.128 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.14 -6.32 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.244 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -137.03 1.35 2.47 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.585 0.693 . . . . 0.0 111.671 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.23 130.73 91.8 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 122.711 0.404 . . . . 0.0 110.537 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' B' ' 51' ' ' ILE . 98.0 Cg_endo -81.36 -11.82 11.74 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.185 3.256 . . . . 0.0 113.608 -171.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -49.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 118.392 0.542 . . . . 0.0 111.108 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -38.82 87.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.94 0.336 . . . . 0.0 111.347 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.7 mt -55.45 -51.42 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.51 -41.33 96.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 122.995 0.518 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.45 -2.47 3.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.861 0.464 . . . . 0.0 111.176 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -120.96 -14.68 8.41 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.21 -0.306 . . . . 0.0 110.44 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.771 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.5 OUTLIER -89.22 -37.18 15.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -165.91 86.87 0.93 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 123.876 0.87 . . . . 0.0 109.829 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -73.99 0.79 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.871 3.047 . . . . 0.0 113.769 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 67.83 3.51 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 118.375 0.534 . . . . 0.0 112.309 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.7 -174.87 4.09 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.288 0.635 . . . . 0.0 111.432 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.7 mtmt -145.04 111.32 5.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.845 0.858 . . . . 0.0 110.342 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.475 ' CG ' HG13 ' B' ' 79' ' ' VAL . 44.5 m-85 -85.52 154.25 21.89 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 121.301 0.572 . . . . 0.0 111.08 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.58 111.27 6.56 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.996 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.4 147.79 51.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.875 0.47 . . . . 0.0 110.025 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.34 157.85 40.75 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.554 0.742 . . . . 0.0 110.191 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -52.74 173.79 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.904 2.081 . . . . 0.0 115.619 -168.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 174.03 6.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.51 1.124 . . . . 0.0 112.161 -175.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.4 t -157.37 175.07 14.48 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.616 0.766 . . . . 0.0 110.065 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.95 176.46 43.7 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.872 0.748 . . . . 0.0 113.014 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.49 172.45 13.49 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.26 0.624 . . . . 0.0 110.229 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -66.58 -11.64 54.09 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -109.26 -1.26 18.72 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.162 0.585 . . . . 0.0 111.774 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.73 19.53 2.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.375 1.07 . . . . 0.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -56.77 155.31 7.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.844 1.258 . . . . 0.0 112.182 -171.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 79.8 p -142.62 159.51 42.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.204 0.602 . . . . 0.0 109.951 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.483 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 46.3 m-85 -146.4 170.4 16.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.935 1.294 . . . . 0.0 108.079 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.56 157.13 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.026 175.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.8 mmm -125.34 155.3 40.49 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -133.87 169.34 17.22 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.475 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -145.89 158.4 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.648 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -130.94 111.3 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.433 HG13 HG21 ' B' ' 108' ' ' VAL . 2.5 p -136.08 137.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.21 11.29 0.75 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.26 0.624 . . . . 0.0 112.628 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.36 -11.37 68.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.723 0.678 . . . . 0.0 111.423 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.13 170.6 16.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -133.1 143.94 49.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -138.34 166.16 24.94 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.617 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -147.09 162.93 37.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 109.444 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.29 107.87 0.25 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.1 p -90.37 164.92 14.13 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.34 0.57 . . . . 0.0 110.922 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.67 171.32 42.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -75.81 -9.63 58.76 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 117.523 0.661 . . . . 0.0 111.933 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.6 160.32 43.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.625 1.17 . . . . 0.0 109.024 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.99 -30.86 71.09 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.461 ' HE3' ' OP1' ' A' ' 30' ' ' ' C' . 86.3 tttt -66.75 -45.81 77.39 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.056 0.543 . . . . 0.0 110.379 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.25 -39.6 82.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.04 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.3 0.64 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -65.42 -38.62 90.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 122.123 -0.361 . . . . 0.0 110.771 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.74 73.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.24 0.473 . . . . 0.0 110.755 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.28 -51.95 18.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.241 0.616 . . . . 0.0 111.061 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.1 79.53 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.676 0.39 . . . . 0.0 111.031 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.97 70.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.99 0.516 . . . . 0.0 110.873 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -65.66 -36.47 83.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.95 -0.469 . . . . 0.0 110.009 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -65.97 -43.35 88.12 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.34 71.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.6 tm? -70.56 -62.6 1.33 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.25 -10.85 17.56 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -174.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.6 m -101.45 -62.93 1.19 Allowed 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.95 0.795 . . . . 0.0 111.955 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.433 HG21 HG13 ' B' ' 81' ' ' VAL . 54.5 t -62.19 -31.53 51.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.031 0 C-N-CA 122.551 0.34 . . . . 0.0 111.715 -173.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.771 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 18.9 m-85 -90.58 -4.61 56.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.778 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.6 m120 58.84 18.96 6.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.535 0.734 . . . . 0.0 111.928 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.03 -162.78 0.92 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.381 1.073 . . . . 0.0 110.307 -177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -134.26 161.37 35.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.408 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.331 -3.369 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.771 3.571 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.411 -3.289 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.467 -3.233 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C5'-C4'-C3' 109.934 -3.711 . 0.785 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.721 -2.979 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.846 -3.854 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.483 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.356 -3.344 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.582 -3.118 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.791 -2.909 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.416 -3.284 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.903 -3.797 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.334 -3.366 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.477 -3.223 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.972 -2.728 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.123 -3.577 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.105 -3.595 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.053 -3.647 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 98.736 -3.964 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.975 -3.725 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 C5'-C4'-C3' 108.985 -4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 1 O4'-C1'-N19 112.351 4.151 . 0.313 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 C5'-C4'-C3' 111.684 -2.544 . 0.875 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C5'-C4'-C3' 111.155 -2.896 . 0.697 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.5 -3.2 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.392 -3.308 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 112.148 3.948 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.36 -3.34 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C4'-C3'-C2' 99.409 -3.291 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.461 ' OP1' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C4'-C3'-C2' 99.239 -3.461 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.179 -3.521 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.013 -3.687 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.228 -3.472 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.261 -3.439 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.288 -3.412 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.123 -3.577 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.419 -3.281 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.411 -3.289 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.05 -3.65 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.103 -3.597 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 C4'-C3'-C2' 98.381 -4.319 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 111.983 3.783 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo . . . . . 0 N--CA 1.478 0.603 0 N-CA-C 112.249 0.057 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -66.74 174.31 2.98 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.004 0.522 . . . . 0.0 111.293 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.21 -179.45 45.77 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -142.68 167.03 23.04 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.633 0.773 . . . . 0.0 109.43 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -60.81 153.53 63.52 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 93.0 Cg_endo -76.24 -13.01 19.07 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.169 2.58 . . . . 0.0 111.879 -178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.81 -53.44 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 122.275 0.23 . . . . 0.0 110.549 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 tpp -73.85 -39.63 63.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.728 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.42 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 10.3 pt -61.18 -38.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.242 0.928 . . . . 0.0 110.677 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.41 HD23 ' C ' ' B' ' 52' ' ' LEU . 5.3 tt -59.87 -51.97 67.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.6 -4.06 7.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.146 0.978 . . . . 0.0 113.024 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -108.18 -18.77 13.69 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.01 0.524 . . . . 0.0 111.027 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -101.02 -36.59 8.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.367 0.267 . . . . 0.0 110.592 -175.54 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -157.46 79.48 3.47 Favored Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 122.392 0.277 . . . . 0.0 110.725 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.73 179.31 5.36 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.201 2.6 . . . . 0.0 109.495 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.97 46.36 2.26 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 -173.23 2.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.506 1.122 . . . . 0.0 109.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -143.1 105.46 4.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.366 0.266 . . . . 0.0 111.462 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.453 ' CG ' HG13 ' B' ' 79' ' ' VAL . 47.0 m-85 -81.94 152.67 26.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.283 0.563 . . . . 0.0 110.801 174.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.6 111.84 6.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.964 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.27 148.28 51.01 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.942 0.497 . . . . 0.0 109.927 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 64' ' ' LEU . 1.6 mm? -129.96 158.47 39.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.586 0.755 . . . . 0.0 110.217 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -52.14 173.93 0.03 OUTLIER 'General case' 0 C--N 1.338 0.109 0 C-N-CA 127.206 2.203 . . . . 0.0 115.391 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 173.14 11.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.052 0.941 . . . . 0.0 112.591 -174.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 76.1 p -158.89 168.77 25.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.675 1.19 . . . . 0.0 108.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 -175.04 20.23 Favored Glycine 0 CA--C 1.526 0.722 0 CA-C-O 121.059 0.255 . . . . 0.0 112.536 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -124.2 20.38 8.96 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.457 1.103 . . . . 0.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.0 m 78.75 -1.99 2.35 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.179 1.792 . . . . 0.0 113.093 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -126.36 -0.59 6.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.031 0.532 . . . . 0.0 110.559 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.3 13.87 2.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.332 1.453 . . . . 0.0 109.347 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -54.26 138.97 37.62 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.588 1.155 . . . . 0.0 111.143 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.27 159.11 42.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.022 0.529 . . . . 0.0 110.066 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.463 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 24.0 m-85 -141.58 173.3 11.63 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.059 1.344 . . . . 0.0 108.412 -177.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.43 158.63 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 118.437 -1.305 . . . . 0.0 111.459 175.189 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.3 mmm -126.6 156.08 41.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.719 1.207 . . . . 0.0 107.95 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -134.86 169.78 16.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.4 t -146.54 158.25 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.07 109.66 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 137.6 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.0 11.66 1.03 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.17 0.588 . . . . 0.0 112.459 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.46 -11.08 68.99 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.776 0.703 . . . . 0.0 111.371 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.83 169.29 18.13 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.94 144.4 50.81 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -139.92 166.03 25.73 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.629 0.372 . . . . 0.0 111.451 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -147.9 162.21 39.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.511 0.724 . . . . 0.0 109.632 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 113.0 0.41 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.9 p -91.57 167.24 12.36 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.276 0.538 . . . . 0.0 111.054 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.8 171.64 44.52 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -73.39 -14.37 61.26 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -146.71 168.75 20.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.44 -26.1 67.05 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.6 -49.13 22.85 Favored 'General case' 0 C--N 1.337 0.051 0 CA-C-N 118.1 0.409 . . . . 0.0 110.661 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.23 -39.23 94.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.268 1.027 . . . . 0.0 109.192 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.71 -49.05 79.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.821 0.449 . . . . 0.0 110.616 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.49 -37.41 86.73 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 122.06 -0.4 . . . . 0.0 110.753 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.58 71.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.35 0.523 . . . . 0.0 110.727 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -75.28 -50.46 16.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.868 0.467 . . . . 0.0 110.763 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.76 81.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.655 0.382 . . . . 0.0 110.932 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.81 68.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.26 0.624 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -64.85 -35.33 80.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.1 m -68.76 -46.38 68.97 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.71 -42.11 83.1 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.784 0.433 . . . . 0.0 110.396 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.409 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.2 tt -62.62 -63.62 1.17 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.758 0.823 . . . . 0.0 109.932 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.49 8.74 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 94.0 m -99.79 -56.18 2.45 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-N 119.041 0.837 . . . . 0.0 111.366 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.14 -28.09 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 122.225 0.21 . . . . 0.0 111.529 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.0 m-30 -92.7 -4.57 52.99 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 122.144 -0.348 . . . . 0.0 111.162 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 59.21 20.48 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.532 0.733 . . . . 0.0 112.13 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 87.9 mt -123.68 -164.38 1.22 Allowed 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.633 1.173 . . . . 0.0 110.079 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -139.62 162.03 36.09 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.505 -1.236 . . . . 0.0 110.457 179.387 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.314 -3.386 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.923 3.723 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C4'-C3'-C2' 99.326 -3.374 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.322 -3.378 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 C5'-C4'-C3' 109.025 -4.317 . 0.753 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.541 -3.159 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.064 -3.636 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.463 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.291 -3.409 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.804 -2.896 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.956 -2.744 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.508 -3.192 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 98.969 -3.731 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C4'-C3'-C2' 99.255 -3.445 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.546 -3.154 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.337 -3.363 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.108 -3.592 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.417 -3.283 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.206 -3.494 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 O4'-C1'-N19 112.305 4.105 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.245 -3.455 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.746 2.546 . 0.507 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.736 2.536 . 0.501 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 110.935 2.735 . 0.818 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C5'-C4'-C3' 110.056 -3.63 . 0.711 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.537 -3.163 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.425 -3.275 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 112.095 3.895 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.408 -3.292 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 98.98 -3.72 . 0.434 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.12 -3.58 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.467 -3.233 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.113 -3.587 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 99.311 -3.389 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.431 -3.269 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.226 -3.474 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.219 -3.481 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 110.972 2.772 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 1 C5'-C4'-C3' 108.871 -4.42 . 0.735 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.187 -3.513 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.075 -3.625 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 C4'-C3'-C2' 98.436 -4.264 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 112.031 3.831 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.472 0.216 0 CA-C-O 120.523 0.135 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -139.32 4.62 2.22 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.037 0.535 . . . . 0.0 111.215 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.9 -179.55 39.52 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -138.99 175.24 9.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.865 0.466 . . . . 0.0 110.961 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.403 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 25.2 p30 -146.96 164.16 24.92 Favored Pre-proline 0 N--CA 1.453 -0.277 0 C-N-CA 123.772 0.829 . . . . 0.0 109.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' B' ' 51' ' ' ILE . 88.0 Cg_endo -74.29 -9.86 22.04 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.684 2.256 . . . . 0.0 111.573 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.38 -50.89 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.912 0.485 . . . . 0.0 110.074 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.79 -40.19 94.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.183 0.193 . . . . 0.0 111.013 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 48' ' ' PRO . 43.9 mt -55.15 -52.95 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.62 -43.11 99.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.008 0.523 . . . . 0.0 109.832 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -66.0 -4.82 7.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.477 0.711 . . . . 0.0 111.809 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -117.42 -22.35 8.24 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.481 0.312 . . . . 0.0 110.454 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.722 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.4 OUTLIER -75.6 -46.28 32.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -164.23 91.35 1.05 Allowed Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 122.758 0.423 . . . . 0.0 109.961 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.76 176.07 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.231 2.621 . . . . 0.0 110.283 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.83 51.19 0.75 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.784 -0.527 . . . . 0.0 111.784 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 -176.47 4.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 110.9 -176.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -137.37 156.42 48.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 175.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.8 m-85 -130.53 154.58 47.65 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -140.36 112.04 7.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.094 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -74.32 146.72 42.88 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.99 155.74 43.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.314 0.645 . . . . 0.0 110.27 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -56.31 172.98 0.19 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.726 1.61 . . . . 0.0 113.887 -171.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.68 169.8 15.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.264 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -153.61 176.8 11.66 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.188 0.995 . . . . 0.0 109.649 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.22 179.82 33.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.52 171.65 14.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.054 0.542 . . . . 0.0 110.768 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m -68.06 -9.35 45.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -120.87 2.17 10.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.941 0.896 . . . . 0.0 111.2 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.8 17.95 2.32 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.078 0.951 . . . . 0.0 110.243 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.488 ' HG2' ' CZ ' ' B' ' 75' ' ' PHE . 29.5 tptt -56.46 153.89 9.31 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.86 0.864 . . . . 0.0 111.207 -175.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -139.52 86.2 2.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.802 0.441 . . . . 0.0 110.883 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.488 ' CZ ' ' HG2' ' B' ' 73' ' ' LYS . 21.3 m-85 -77.73 166.06 23.43 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -144.37 157.03 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.778 175.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -141.61 133.92 28.0 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -120.51 172.49 7.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.17 166.23 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.343 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -136.98 109.57 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.22 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 122.998 0.519 . . . . 0.0 109.753 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.34 7.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.326 1.051 . . . . 0.0 113.016 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.43 33.03 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 124.0 0.81 . . . . 0.0 111.672 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.46 174.19 11.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -133.93 146.02 50.12 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.07 164.45 30.24 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.743 0.417 . . . . 0.0 110.945 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -146.49 160.52 42.01 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.162 0.585 . . . . 0.0 109.657 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.35 107.6 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.9 p -84.37 164.14 19.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.72 0.76 . . . . 0.0 110.381 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.7 168.09 40.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -70.68 -13.22 61.99 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 122.658 -0.319 . . . . 0.0 111.557 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.53 159.95 43.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.393 1.077 . . . . 0.0 109.253 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -65.71 -29.62 70.19 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -71.42 -35.4 70.95 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.373 0.533 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.4 -38.14 65.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.15 -48.82 70.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.401 0.281 . . . . 0.0 110.415 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -63.25 -39.66 95.24 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.827 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.02 85.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.241 0.473 . . . . 0.0 110.696 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.07 -52.23 30.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.906 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.35 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.657 0.383 . . . . 0.0 111.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.6 66.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.684 0.394 . . . . 0.0 110.755 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -65.93 -35.51 80.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -67.28 -43.96 80.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.99 69.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.776 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.5 tm? -69.75 -64.85 0.8 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.36 -16.1 32.07 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -173.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.4 m -96.26 -62.26 1.3 Allowed 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.66 0.664 . . . . 0.0 111.811 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.98 -30.64 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 117.982 0.355 . . . . 0.0 111.728 -173.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.722 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 12.6 m-85 -90.23 -4.76 57.0 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.723 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.51 18.31 6.83 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.788 0.835 . . . . 0.0 112.459 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 75.1 mt -116.72 -163.81 0.94 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.907 0.883 . . . . 0.0 110.468 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.78 170.2 13.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 109.456 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.745 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.474 -3.226 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 O4'-C1'-N19 111.764 3.564 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C4'-C3'-C2' 99.106 -3.594 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 98.88 -3.82 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.175 -3.525 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.09 -3.61 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.372 -3.328 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.332 -3.368 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.452 -3.248 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.823 -2.877 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.455 -3.245 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 98.988 -3.712 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.394 -3.306 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.547 -3.153 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C5'-C4'-O4' 112.879 2.628 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 C5'-C4'-C3' 108.488 -4.674 . 0.508 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.54 -3.16 . 0.456 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.091 -3.609 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 112.274 4.074 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.059 -3.641 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 C5'-C4'-C3' 108.345 -4.77 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 O4'-C1'-N19 112.244 4.044 . 0.301 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 110.786 2.586 . 0.866 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C5'-C4'-C3' 111.368 -2.754 . 0.687 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.4 -3.3 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.67 -3.03 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 O4'-C1'-N19 111.8 3.6 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.607 -3.093 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.138 -3.562 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.531 -3.169 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.721 -2.979 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.1 -3.6 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.315 -3.385 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 99.6 -3.1 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.224 -3.476 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.065 -3.635 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.25 -3.45 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 98.843 -3.857 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.02 -3.68 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 98.793 -3.907 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.407 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.469 -4.231 . 0.82 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.407 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 112.062 3.862 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 N--CA 1.471 0.15 0 CA-C-O 120.543 0.143 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -71.96 -13.15 61.55 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 111.709 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.12 176.58 25.47 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -75.94 -12.61 60.18 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.808 0.443 . . . . 0.0 112.028 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.579 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 68.0 m-20 59.33 170.73 0.06 OUTLIER Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 124.561 1.145 . . . . 0.0 111.114 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 67.2 Cg_endo -73.58 -8.77 22.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.189 1.926 . . . . 0.0 110.525 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.04 -52.56 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.323 1.049 . . . . 0.0 110.446 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.9 tpp -71.45 -30.65 66.28 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.399 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.4 mt -59.21 -53.85 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.48 -49.35 72.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.398 1.079 . . . . 0.0 109.409 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.74 -4.99 22.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -106.43 -27.41 10.96 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.907 0.776 . . . . 0.0 110.367 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.94 -54.35 6.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -155.87 86.21 3.19 Favored Pre-proline 0 N--CA 1.453 -0.294 0 O-C-N 123.125 0.265 . . . . 0.0 110.427 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.85 177.45 6.99 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.536 2.824 . . . . 0.0 109.975 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.53 46.65 0.78 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.02 -175.23 3.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.881 0.872 . . . . 0.0 110.574 -175.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -138.51 156.33 47.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.2 m-85 -130.63 154.45 47.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -139.91 111.93 7.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.23 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.2 147.09 45.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.14 158.56 37.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.615 0.766 . . . . 0.0 110.201 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -53.86 174.28 0.05 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 126.497 1.919 . . . . 0.0 115.357 -168.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -126.22 173.2 9.45 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.111 0.964 . . . . 0.0 112.448 -175.153 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -161.94 173.04 15.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.072 0.949 . . . . 0.0 109.592 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.66 172.06 36.18 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.769 0.7 . . . . 0.0 112.951 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.9 176.94 6.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.841 0.856 . . . . 0.0 110.462 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -63.04 -1.92 1.09 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -127.28 2.73 6.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.555 0.742 . . . . 0.0 111.563 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.93 11.21 2.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.916 0.886 . . . . 0.0 110.485 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -55.62 143.15 31.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.986 0.914 . . . . 0.0 111.201 -174.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -141.79 156.47 45.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 37.5 m-85 -139.64 169.56 17.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.362 1.465 . . . . 0.0 107.802 -178.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.78 157.46 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.517 -1.273 . . . . 0.0 110.711 174.018 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tpt -143.72 136.01 26.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.1 p -122.94 172.33 8.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.63 0.372 . . . . 0.0 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.52 166.38 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -137.38 110.0 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.56 127.9 65.24 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.755 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.7 t70 57.36 9.26 0.71 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.946 0.898 . . . . 0.0 112.76 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.46 -13.19 43.38 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.063 0.839 . . . . 0.0 111.698 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 173.95 11.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -133.89 145.87 50.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -141.61 163.87 31.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.713 0.405 . . . . 0.0 110.881 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -146.39 162.22 38.69 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 109.714 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.45 106.39 0.22 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.7 p -82.9 164.57 20.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 117.611 0.705 . . . . 0.0 110.183 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.32 173.0 43.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.75 -13.03 60.06 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.835 0.454 . . . . 0.0 111.563 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -150.84 167.66 26.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.717 0.807 . . . . 0.0 109.68 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -62.41 -44.81 95.55 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 123.363 0.665 . . . . 0.0 112.589 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -66.11 -34.66 78.56 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 122.38 -0.2 . . . . 0.0 111.166 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.93 -38.28 69.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.93 74.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -63.83 -37.95 89.27 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.669 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.23 83.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.414 0.552 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.46 -53.73 15.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.721 0.408 . . . . 0.0 110.661 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.16 77.64 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.567 0.347 . . . . 0.0 111.592 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.19 69.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.482 0.313 . . . . 0.0 110.502 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -62.21 -37.32 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.9 m -67.55 -45.69 74.91 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.066 0.394 . . . . 0.0 110.147 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.5 -42.78 88.43 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.496 0.319 . . . . 0.0 110.287 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.439 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.8 tt -61.12 -65.94 0.61 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.324 1.05 . . . . 0.0 109.395 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.5 -10.81 2.38 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.5 m -104.64 -55.03 2.41 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.957 0.799 . . . . 0.0 111.661 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.91 -27.31 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 118.143 0.428 . . . . 0.0 110.486 -175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.438 ' CD2' ' HG ' ' B' ' 105' ' ' LEU . 5.4 m-30 -92.72 -4.99 52.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.358 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.25 20.62 8.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.504 0.722 . . . . 0.0 112.602 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 77.9 mt -119.08 -165.13 1.1 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.046 0.939 . . . . 0.0 110.504 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.4 t-80 -135.81 -178.73 5.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.281 0.632 . . . . 0.0 109.874 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.379 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.385 -3.315 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 O4'-C1'-N19 111.792 3.592 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C4'-C3'-C2' 99.324 -3.376 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 C4'-C3'-C2' 99.175 -3.525 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 109.669 -3.887 . 0.826 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.275 -3.425 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.587 -3.113 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.519 -3.181 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.191 -3.509 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.67 -3.03 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.783 -2.917 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 98.933 -3.767 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.148 -3.552 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.522 -3.178 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 100.095 -2.605 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.587 -3.113 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.314 -3.386 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.235 -3.465 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.283 4.083 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.542 0 C4'-C3'-C2' 99.159 -3.541 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 C5'-C4'-C3' 108.243 -4.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.354 4.154 . 0.306 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.02 2.82 . 0.864 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.911 -3.059 . 0.707 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.912 -2.788 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.509 -3.191 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 112.232 4.032 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.429 -3.271 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.712 -2.988 . 0.227 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C4'-C3'-C2' 99.149 -3.551 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 C4'-C3'-C2' 99.85 -2.85 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.706 3.506 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.39 -3.31 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.11 -3.59 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.165 -3.535 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.191 -3.509 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.256 3.056 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C5'-C4'-C3' 109.176 -4.216 . 0.73 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 98.973 -3.727 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 98.955 -3.745 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.402 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.662 1 C4'-C3'-C2' 98.362 -4.338 . 0.801 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 112.147 3.947 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 N--CA 1.471 0.182 0 N-CA-C 112.434 0.129 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 93.2 p -77.24 -171.92 2.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.667 0.787 . . . . 0.0 110.603 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.83 -5.74 20.39 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 119.969 -0.35 . . . . 0.0 112.439 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.36 2.0 10.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.661 0.785 . . . . 0.0 111.464 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -55.4 159.44 4.55 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.868 0.867 . . . . 0.0 111.288 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.419 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.7 Cg_endo -71.07 -11.45 29.09 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.846 2.364 . . . . 0.0 111.505 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.61 -51.93 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.3 mmt -69.25 -30.32 68.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 48' ' ' PRO . 45.3 mt -61.23 -54.97 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.9 -50.06 73.67 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.145 0.978 . . . . 0.0 109.439 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.46 -10.5 44.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.739 . . . . 0.0 112.816 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -105.66 -30.75 9.27 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.456 0.571 . . . . 0.0 110.759 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.9 tt -78.1 -50.79 11.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.442 -0.162 . . . . 0.0 110.771 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -153.67 80.54 5.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 178.11 5.76 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.387 2.725 . . . . 0.0 110.024 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.71 46.19 1.06 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.131 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.51 -174.5 3.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.332 1.053 . . . . 0.0 109.932 -177.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -139.21 154.06 47.97 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.456 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.5 m-85 -128.93 154.37 46.62 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -141.04 112.01 7.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -68.75 147.64 51.5 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.714 0.406 . . . . 0.0 109.944 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.07 157.5 41.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.513 0.725 . . . . 0.0 110.016 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.2 m -53.61 173.74 0.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.428 1.891 . . . . 0.0 115.114 -168.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.448 ' HB2' ' HE3' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -118.17 171.92 7.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.231 -175.238 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -149.35 170.81 17.67 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.168 0.987 . . . . 0.0 109.925 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.86 173.41 49.49 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 123.589 0.614 . . . . 0.0 112.806 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -80.46 -174.06 4.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.266 1.026 . . . . 0.0 110.42 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 26.4 p -59.97 -11.64 6.17 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.232 0.613 . . . . 0.0 111.791 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -121.78 155.95 34.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.892 1.277 . . . . 0.0 107.917 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.77 20.16 1.09 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.704 0.402 . . . . 0.0 111.72 -172.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 66' ' ' GLU . 42.3 tptt -56.03 152.62 10.11 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.493 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -141.48 153.59 45.03 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.74 0.416 . . . . 0.0 110.51 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 38.5 m-85 -142.69 172.13 13.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.772 1.629 . . . . 0.0 107.709 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.92 159.06 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.777 174.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 87.7 mmm -127.33 157.01 41.05 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 107.972 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -134.37 170.65 15.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 167.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.0 t -145.96 161.38 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.16 109.65 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.4 138.22 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.73 12.22 1.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.249 0.619 . . . . 0.0 112.459 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.29 -11.28 70.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.28 170.07 17.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -133.01 144.19 49.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.01 167.19 22.61 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.529 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -146.8 162.3 38.88 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.85 111.69 0.35 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.1 p -91.0 164.77 13.85 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 117.31 0.555 . . . . 0.0 111.026 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.95 169.44 41.84 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.95 -10.6 59.64 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.411 0.605 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.18 162.81 38.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.545 1.138 . . . . 0.0 109.31 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.03 -34.64 78.93 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.82 -44.12 78.02 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 118.135 0.425 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.13 -39.56 86.61 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.33 83.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.442 0.297 . . . . 0.0 110.966 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -66.17 -39.33 89.67 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 122.061 -0.399 . . . . 0.0 110.496 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.77 71.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.134 0.425 . . . . 0.0 110.512 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.13 -55.34 6.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.929 0.491 . . . . 0.0 110.615 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.41 79.31 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.656 0.382 . . . . 0.0 111.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.8 72.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.205 0.602 . . . . 0.0 110.388 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -65.26 -37.34 86.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.2 m -67.89 -43.66 78.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 118.243 0.474 . . . . 0.0 110.231 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.58 87.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.848 0.459 . . . . 0.0 110.137 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.3 -59.89 4.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.604 0.762 . . . . 0.0 109.467 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.16 -16.62 8.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -103.15 -55.94 2.32 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 118.589 0.631 . . . . 0.0 111.599 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.28 -29.53 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.059 0 C-N-CA 122.287 0.235 . . . . 0.0 111.188 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.0 m-30 -91.38 -8.74 47.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 122.249 -0.282 . . . . 0.0 111.139 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m120 57.26 18.12 4.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 111.288 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.32 108.86 10.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.886 1.275 . . . . 0.0 109.312 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -62.8 157.89 20.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.624 0.25 . . . . 0.0 110.601 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.668 -1.158 . . . . 0.0 110.324 179.017 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.406 -3.294 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 O4'-C1'-N19 111.729 3.529 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 C4'-C3'-C2' 99.282 -3.418 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.158 -3.542 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.195 -3.505 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.571 -3.129 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.24 -3.46 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.252 -3.448 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.435 -3.265 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 100.191 -2.509 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.538 -3.162 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.896 -3.804 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.638 -3.062 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.396 -3.304 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.869 -2.831 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.35 -3.35 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.457 -3.243 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.386 -3.314 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 112.055 3.855 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.083 -3.617 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 O4'-C1'-N19 111.128 2.928 . 0.589 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C5'-C4'-C3' 112.107 -2.262 . 0.611 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.878 3.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C5'-C4'-C3' 109.697 -3.869 . 0.574 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.549 -3.151 . 0.637 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.635 -3.065 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 O4'-C1'-N19 111.959 3.759 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 98.956 -3.744 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-C3' 109.547 -3.968 . 0.242 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.039 -3.661 . 0.311 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.87 -2.83 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.101 -3.599 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.252 -3.448 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C4'-C3'-C2' 99.205 -3.495 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.138 -3.562 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.056 -3.644 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 111.333 3.133 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C5'-C4'-C3' 108.958 -4.361 . 0.423 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.276 -3.424 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 98.93 -3.77 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 1 C4'-C3'-C2' 98.461 -4.239 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 O4'-C1'-N19 111.978 3.778 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 CA--C 1.528 0.219 0 N-CA-C 112.492 0.151 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.0 m -68.33 -5.54 19.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.401 0.68 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.66 -7.42 63.32 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.641 0.639 . . . . 0.0 112.394 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -74.46 171.51 13.63 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.673 0.737 . . . . 0.0 110.428 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.463 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 49.8 m-80 -70.66 165.57 44.69 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 171.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' B' ' 51' ' ' ILE . 66.3 Cg_endo -72.95 -11.86 25.75 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.118 1.879 . . . . 0.0 110.933 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -52.07 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.587 0.755 . . . . 0.0 110.263 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.2 mtp -75.34 -25.05 57.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.181 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' B' ' 48' ' ' PRO . 53.5 mt -61.35 -52.61 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.27 -49.39 77.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.092 0.957 . . . . 0.0 109.7 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.81 -11.95 50.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.391 0.676 . . . . 0.0 112.703 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.32 -31.61 8.99 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.353 0.524 . . . . 0.0 110.799 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.73 -49.42 16.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -154.0 84.06 4.16 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 122.439 0.296 . . . . 0.0 110.375 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.86 178.99 5.19 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.202 2.601 . . . . 0.0 109.943 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.59 53.08 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.37 -178.01 4.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.985 0.914 . . . . 0.0 110.444 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -140.81 106.72 5.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.503 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.2 m-85 -84.76 152.5 23.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.06 111.74 7.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.901 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.28 147.98 51.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.737 0.415 . . . . 0.0 109.994 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.48 157.6 41.55 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.546 0.738 . . . . 0.0 109.925 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -53.48 174.21 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 126.696 1.999 . . . . 0.0 115.389 -168.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -124.92 170.95 10.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.929 -175.561 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -153.9 168.67 25.58 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.312 1.045 . . . . 0.0 109.819 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 174.37 32.65 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.203 0.43 . . . . 0.0 112.271 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.39 -173.32 3.25 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.809 0.843 . . . . 0.0 110.142 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -66.1 -3.54 5.7 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.114 -0.366 . . . . 0.0 111.238 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -127.5 160.68 30.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.895 1.278 . . . . 0.0 108.148 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.71 15.04 0.33 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.06 0.544 . . . . 0.0 112.342 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.99 155.04 17.58 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.943 0.897 . . . . 0.0 111.077 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.6 m -141.8 156.05 45.57 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.689 0.396 . . . . 0.0 110.398 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.414 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 24.8 m-85 -141.8 172.94 11.99 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.436 1.494 . . . . 0.0 107.837 -178.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.9 OUTLIER -148.24 158.71 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 118.208 -1.397 . . . . 0.0 111.687 175.187 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.6 mmm -127.69 156.72 41.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.899 1.28 . . . . 0.0 107.945 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.3 p -134.65 169.08 17.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -146.97 161.95 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.356 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -131.51 109.95 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.577 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.27 8.66 0.6 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.021 0.928 . . . . 0.0 112.868 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.32 -12.78 36.71 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.202 0.906 . . . . 0.0 111.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.07 172.74 13.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -132.87 145.34 50.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -140.82 166.17 25.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.642 0.377 . . . . 0.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.01 162.42 37.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.627 0.771 . . . . 0.0 109.385 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.37 106.08 0.21 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -86.02 164.12 17.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 117.374 0.587 . . . . 0.0 110.623 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.67 172.1 41.77 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -73.14 -14.62 61.41 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 117.088 0.444 . . . . 0.0 112.003 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -150.36 162.2 41.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.387 1.075 . . . . 0.0 108.594 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -32.41 73.58 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -67.66 -48.65 66.03 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.368 0.667 . . . . 0.0 110.426 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.4 -38.68 90.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.444 0.697 . . . . 0.0 109.837 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.15 86.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.813 0.445 . . . . 0.0 111.264 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -65.3 -36.33 83.73 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.978 -0.451 . . . . 0.0 110.714 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.46 69.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.251 0.478 . . . . 0.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -78.1 -51.31 10.47 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.738 0.415 . . . . 0.0 110.94 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.45 84.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.592 0.357 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.66 -36.45 70.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.935 0.494 . . . . 0.0 110.759 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -66.13 -36.66 83.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.3 m -67.05 -44.64 79.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.74 95.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.453 0.301 . . . . 0.0 110.429 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.422 HD23 ' C ' ' B' ' 105' ' ' LEU . 5.7 tt -61.36 -66.9 0.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.056 0.942 . . . . 0.0 109.75 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.36 -15.94 7.75 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.6 m -97.04 -58.06 2.12 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.68 0.673 . . . . 0.0 111.127 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.06 -28.96 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 117.815 0.28 . . . . 0.0 110.89 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -92.17 -5.42 52.63 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.338 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.4 m120 58.86 21.48 9.14 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.407 0.683 . . . . 0.0 112.675 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.56 -167.3 1.44 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.767 0.827 . . . . 0.0 110.674 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' HIS . . . . . 0.489 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.0 t-80 -132.75 -177.75 4.63 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.124 0.569 . . . . 0.0 110.055 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.489 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.9 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.412 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.361 -3.339 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 O4'-C1'-N19 111.683 3.483 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.263 -3.437 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.034 -3.666 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.468 -3.232 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.405 -3.295 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.208 -3.492 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.414 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.289 -3.411 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.554 -3.146 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.783 -2.917 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 99.58 -3.12 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.004 -3.696 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.437 -3.263 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.49 -3.21 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.403 -3.297 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.662 -3.038 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.326 -3.374 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.181 -3.519 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 98.791 -3.909 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.541 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.53 -3.17 OUTLIER-EPSILON 0.443 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.44 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 P-O3'-C3' 125.363 4.719 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.541 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.477 1 O4'-C1'-N19 112.38 4.18 . 0.374 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.861 2.661 . 0.836 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C5'-C4'-C3' 111.369 -2.754 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.8 -2.9 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.633 -3.067 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.065 -3.635 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 98.83 -3.87 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 98.849 -3.851 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.267 -3.433 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C4'-C3'-C2' 99.571 -3.129 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.211 -3.489 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.352 -3.348 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 C4'-C3'-C2' 99.158 -3.542 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.399 -3.301 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.106 -3.594 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C1'-N19 111.003 2.803 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C5'-C4'-C3' 109.775 -3.817 . 0.657 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.306 -3.394 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.129 -3.571 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 C4'-C3'-C2' 98.386 -4.314 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 112.014 3.814 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo . . . . . 0 N--CA 1.471 0.201 0 N-CA-C 112.517 0.16 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.6 m -68.49 -7.85 35.8 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.768 0.427 . . . . 0.0 111.944 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.85 9.8 35.72 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.507 0.575 . . . . 0.0 112.639 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.88 -16.93 32.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.775 0.788 . . . . 0.0 111.996 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -142.42 158.86 59.8 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 123.067 0.547 . . . . 0.0 110.0 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 77.1 Cg_endo -76.11 -9.12 19.16 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.195 2.597 . . . . 0.0 111.035 175.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.06 -47.94 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.553 0.341 . . . . 0.0 110.117 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.8 mmt -69.91 -45.43 67.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.7 pt -60.27 -36.02 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 CA-C-N 119.076 0.853 . . . . 0.0 110.569 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.61 -53.69 43.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.99 -10.61 6.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.467 1.507 . . . . 0.0 113.504 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.08 -18.5 11.67 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 118.76 0.709 . . . . 0.0 111.826 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -88.66 -49.8 6.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -158.53 83.18 2.64 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.715 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.21 178.93 5.45 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.448 2.765 . . . . 0.0 109.644 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.32 31.07 1.2 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 112.261 -0.335 . . . . 0.0 112.261 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 -172.72 2.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.588 0.755 . . . . 0.0 110.686 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.468 ' HE2' ' HB3' ' B' ' 60' ' ' LYS . 13.1 ptpt -148.3 156.82 43.01 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' B' ' 79' ' ' VAL . 30.7 m-85 -126.68 155.15 43.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 118.243 0.474 . . . . 0.0 110.24 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -140.12 112.17 7.61 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.388 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.31 148.33 50.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.879 0.472 . . . . 0.0 110.12 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.68 157.45 42.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.621 0.768 . . . . 0.0 109.922 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -54.44 175.19 0.05 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.666 1.986 . . . . 0.0 115.475 -168.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -122.11 171.31 9.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.024 0.93 . . . . 0.0 112.511 -174.473 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 172.84 15.84 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.276 1.03 . . . . 0.0 110.037 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.24 175.94 50.95 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.738 0.685 . . . . 0.0 113.026 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -93.77 175.72 6.62 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.024 0.93 . . . . 0.0 110.12 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -63.19 -3.16 1.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.99 1.2 10.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.517 0.727 . . . . 0.0 111.542 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.28 14.08 1.82 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.091 0.956 . . . . 0.0 109.959 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -56.85 147.18 24.07 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.256 1.023 . . . . 0.0 111.933 -172.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -143.51 155.48 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.354 0.662 . . . . 0.0 109.472 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 34.9 m-85 -141.2 171.78 13.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.289 1.436 . . . . 0.0 108.026 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.78 158.92 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 118.386 -1.325 . . . . 0.0 111.538 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.6 mmm -126.44 156.75 40.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.726 1.21 . . . . 0.0 107.998 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 95.1 p -133.94 170.74 15.18 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' B' ' 61' ' ' TYR . 1.8 t -147.36 159.68 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -134.16 109.91 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 170.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.86 137.86 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.737 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.48 12.49 1.07 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.222 0.609 . . . . 0.0 112.453 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.8 -10.73 72.05 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -80.03 169.54 17.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -131.52 143.9 50.73 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -138.07 167.18 22.34 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 111.656 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.33 162.91 37.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.898 0.879 . . . . 0.0 109.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.86 108.44 0.26 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.5 p -89.56 163.58 15.13 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.269 0.534 . . . . 0.0 110.76 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.09 170.2 41.33 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -74.23 -10.8 59.96 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.481 0.641 . . . . 0.0 112.005 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -148.48 164.49 34.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.555 1.142 . . . . 0.0 109.681 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.42 -36.69 84.99 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.464 ' HE3' ' OP1' ' A' ' 30' ' ' ' C' . 84.7 tttt -65.9 -46.18 79.26 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 123.125 0.57 . . . . 0.0 110.806 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.32 -39.59 85.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.18 84.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.915 0.486 . . . . 0.0 111.058 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -65.88 -39.09 90.35 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.034 -0.416 . . . . 0.0 110.443 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.98 71.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.242 0.473 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -75.14 -52.35 11.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.964 0.505 . . . . 0.0 110.854 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.62 78.7 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.8 69.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.202 0.601 . . . . 0.0 110.726 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -66.27 -37.75 86.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -67.49 -44.69 77.88 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.07 89.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.929 0.491 . . . . 0.0 110.276 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.422 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.2 tt -61.35 -64.02 1.09 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.595 0.758 . . . . 0.0 109.816 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.91 -14.0 5.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.1 m -99.29 -57.46 2.15 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 118.674 0.67 . . . . 0.0 111.013 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.98 -26.32 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 122.581 0.352 . . . . 0.0 111.476 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.8 m-30 -93.72 -4.95 49.52 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.974 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 59.22 21.24 9.35 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.686 0.795 . . . . 0.0 112.554 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.89 -167.58 1.51 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.899 0.879 . . . . 0.0 110.729 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.0 t-80 -132.45 -179.91 5.73 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.929 0.492 . . . . 0.0 110.177 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.129 -1.415 . . . . 0.0 110.431 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.295 -3.405 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.768 3.568 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.158 -3.542 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 111.824 3.624 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.33 -3.37 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.597 -3.103 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.097 -3.603 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.327 -3.373 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.427 -3.273 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.787 -2.913 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.391 -3.309 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 1 C4'-C3'-C2' 98.675 -4.025 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 99.213 -3.487 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.73 -2.97 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 100.057 -2.643 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.41 -3.29 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.025 -3.675 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.149 -3.551 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 111.25 3.05 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 1 C5'-C4'-C3' 108.093 -4.938 . 0.837 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C4'-C3'-C2' 99.627 -3.073 . 0.214 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 1 C5'-C4'-C3' 108.796 -4.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C5'-C4'-C3' 109.672 -3.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 110.285 -3.477 . 0.635 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.47 -3.23 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.377 -3.323 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 112.059 3.859 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.001 -3.699 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 C5'-C4'-C3' 109.312 -4.125 . 0.214 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.464 ' OP1' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.32 -3.38 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.178 -3.522 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.086 -3.614 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.271 -3.429 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 99.194 -3.506 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.033 -3.667 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.736 3.536 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.373 -3.327 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.032 -3.668 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.112 -3.588 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.833 -3.867 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.403 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.559 1 C4'-C3'-C2' 98.454 -4.246 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 112.184 3.984 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 N--CA 1.478 0.601 0 N-CA-C 112.281 0.07 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.0 t -149.47 -176.76 5.52 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.574 0.749 . . . . 0.0 109.878 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.47 6.38 57.5 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.008 0.337 . . . . 0.0 112.358 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -66.86 -7.51 22.25 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.343 1.057 . . . . 0.0 112.521 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASN . . . . . 0.41 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 23.6 p30 -141.15 164.23 37.02 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 122.844 0.458 . . . . 0.0 111.344 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.8 Cg_endo -71.17 -11.98 29.57 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.075 2.516 . . . . 0.0 111.559 175.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.16 -49.78 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 122.977 0.511 . . . . 0.0 109.949 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.0 tpp -67.24 -36.89 82.59 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' B' ' 48' ' ' PRO . 42.4 mt -57.07 -54.38 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.11 -48.55 75.97 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.188 0.995 . . . . 0.0 109.529 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -67.75 -9.74 46.57 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.506 0.722 . . . . 0.0 112.864 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.1 -42.97 6.5 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -70.81 -51.31 27.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.61 0.364 . . . . 0.0 111.418 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -152.26 79.83 6.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.09 177.73 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.581 2.854 . . . . 0.0 109.963 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.85 1.37 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.44 -0.409 . . . . 0.0 112.572 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -177.67 4.07 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.737 0.815 . . . . 0.0 110.568 -175.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -138.1 158.1 44.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.4 m-85 -130.68 155.41 46.64 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.87 112.44 7.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.358 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.92 148.25 50.46 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.27 157.43 41.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.73 0.812 . . . . 0.0 109.594 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -56.6 176.55 0.09 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.083 1.753 . . . . 0.0 115.133 -168.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.64 174.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.041 0.936 . . . . 0.0 112.215 -175.25 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 82.8 p -154.75 173.25 16.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.648 0.779 . . . . 0.0 110.103 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.84 171.42 47.75 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.501 0.572 . . . . 0.0 112.585 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.43 -172.37 3.78 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.266 1.027 . . . . 0.0 110.337 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -61.24 -9.45 5.03 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -120.79 156.8 31.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.1 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.92 19.05 0.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.474 0.31 . . . . 0.0 111.788 -173.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.2 148.55 22.0 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.138 0.975 . . . . 0.0 110.358 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.54 154.22 45.34 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 123.164 0.29 . . . . 0.0 110.526 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 25.3 m-85 -140.73 173.16 11.76 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.911 1.684 . . . . 0.0 107.128 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.75 159.39 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.897 175.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 86.2 mmm -128.31 156.34 43.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 108.137 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 92.7 p -133.5 170.44 15.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 167.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.444 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.1 t -146.51 162.67 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.44 109.13 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.57 138.0 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.1 12.39 1.26 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.154 0.582 . . . . 0.0 112.51 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.04 -11.41 70.8 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 170.21 16.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -132.52 145.12 50.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.33 168.17 20.43 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.502 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -146.39 162.06 39.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.667 0.787 . . . . 0.0 109.223 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.03 106.98 0.23 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -85.32 166.66 16.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.344 0.572 . . . . 0.0 110.49 175.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.0 172.19 44.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -69.39 -19.15 63.82 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 117.088 0.444 . . . . 0.0 112.196 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.54 174.84 12.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.798 0.839 . . . . 0.0 109.684 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -61.85 -40.16 94.36 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.835 0.854 . . . . 0.0 112.395 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.36 -49.98 50.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 122.866 0.466 . . . . 0.0 110.983 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -38.19 85.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.57 0.748 . . . . 0.0 109.965 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.59 73.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.65 0.38 . . . . 0.0 110.756 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -64.0 -35.02 79.33 Favored 'General case' 0 C--O 1.225 -0.194 0 O-C-N 122.043 -0.411 . . . . 0.0 110.526 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.45 78.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.045 0.384 . . . . 0.0 110.299 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.14 -49.22 29.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.726 0.41 . . . . 0.0 110.839 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.32 86.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.548 0.339 . . . . 0.0 110.884 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 -37.46 66.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.882 0.473 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.43 -40.06 93.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 61.4 m -68.63 -43.5 76.2 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.76 90.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.97 0.508 . . . . 0.0 110.852 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 7.9 tt -64.2 -62.38 1.65 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.676 0.39 . . . . 0.0 110.412 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.95 56.8 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -79.46 -57.49 3.67 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 118.495 0.589 . . . . 0.0 111.223 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.44 -28.67 42.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 122.549 0.339 . . . . 0.0 111.527 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.7 m-30 -94.94 0.81 55.03 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.35 -0.834 . . . . 0.0 111.002 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 13.76 1.31 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.517 1.527 . . . . 0.0 114.385 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.1 174.1 6.11 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.032 0.533 . . . . 0.0 112.074 -174.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -92.29 161.53 14.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.228 -179.726 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.331 -3.369 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.695 3.495 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.158 -3.542 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 98.968 -3.732 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.538 -3.162 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.335 -3.365 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.516 -3.184 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.282 -3.418 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.23 -3.47 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.559 -3.141 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.525 -3.175 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.214 -3.486 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.687 -3.013 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.672 -3.028 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-O4' 113.013 2.724 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 C5'-C4'-C3' 108.676 -4.549 . 0.547 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.646 -3.054 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.353 -3.347 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 112.002 3.802 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . 0.475 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.777 -2.923 OUTLIER-EPSILON 0.467 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.42 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 P-O3'-C3' 125.248 4.623 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.475 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 112.162 3.962 . 0.347 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 111.165 2.965 . 0.834 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C5'-C4'-C3' 110.407 -3.395 . 0.655 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.509 -3.191 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.456 -3.244 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 111.849 3.649 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.579 -3.121 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.017 -3.683 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C4'-C3'-C2' 99.368 -3.332 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.744 -2.956 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.9 3.7 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.397 -3.303 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.185 -3.515 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 98.967 -3.733 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.912 3.712 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.188 -3.512 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 98.921 -3.779 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.068 -3.632 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 98.756 -3.944 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.402 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 C4'-C3'-C2' 98.416 -4.284 . 0.812 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 112.043 3.843 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.487 0 N-CA-C 112.531 0.166 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 m -67.95 -9.87 48.78 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.79 15.8 71.66 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 118.447 0.567 . . . . 0.0 112.554 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.7 1.23 1.35 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.157 0.983 . . . . 0.0 113.53 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -134.43 159.47 72.14 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 123.429 0.692 . . . . 0.0 110.02 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 90.8 Cg_endo -74.33 -13.03 23.1 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.285 2.657 . . . . 0.0 111.951 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.36 -51.64 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -74.46 -38.28 63.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.244 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.4 pt -61.55 -35.9 69.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 C-N-CA 118.549 -1.26 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 52' ' ' LEU . 4.6 tt -63.35 -59.17 5.06 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -66.91 -0.34 3.02 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.81 -17.8 10.94 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.482 0.583 . . . . 0.0 110.938 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.96 -51.05 5.67 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -145.81 81.92 9.67 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.301 0.64 . . . . 0.0 110.23 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.49 176.14 8.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.259 2.639 . . . . 0.0 110.166 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.57 49.52 0.8 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -175.6 3.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.865 0.866 . . . . 0.0 110.314 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' B' ' 60' ' ' LYS . 3.4 mppt? -143.28 113.11 7.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.756 0.423 . . . . 0.0 110.339 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.494 ' CG ' HG13 ' B' ' 79' ' ' VAL . 42.8 m-85 -85.73 155.38 21.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.271 0.557 . . . . 0.0 110.891 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.06 110.42 6.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.967 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -72.42 147.09 46.49 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.4 158.1 39.24 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.447 0.699 . . . . 0.0 110.361 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -53.1 173.81 0.04 OUTLIER 'General case' 0 C--O 1.23 0.077 0 C-N-CA 126.815 2.046 . . . . 0.0 115.393 -168.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.24 173.9 10.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.26 1.024 . . . . 0.0 112.634 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -159.71 167.03 29.3 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.856 1.263 . . . . 0.0 108.618 175.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.56 -172.01 23.23 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 121.168 0.316 . . . . 0.0 112.857 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.34 21.17 5.68 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.603 1.161 . . . . 0.0 111.609 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.6 m 76.09 -1.67 2.9 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.045 1.738 . . . . 0.0 113.107 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -127.51 0.02 6.23 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.652 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.43 14.99 2.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.044 1.337 . . . . 0.0 109.637 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -56.86 142.16 42.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.589 1.156 . . . . 0.0 111.578 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.0 m -142.02 159.32 42.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.375 0.67 . . . . 0.0 109.781 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -141.16 170.83 15.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 125.015 1.326 . . . . 0.0 108.465 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.26 156.86 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 118.445 -1.302 . . . . 0.0 110.79 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -142.21 133.54 26.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -123.85 173.07 8.42 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.494 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.29 160.68 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.866 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.49 111.02 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.81 138.7 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.67 11.73 0.96 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.27 -10.9 71.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -80.01 170.03 17.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -132.09 144.93 51.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.33 163.63 32.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.001 0.52 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -146.04 162.49 37.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.962 0.505 . . . . 0.0 109.923 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.81 103.3 0.18 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.8 p -81.27 163.87 22.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.493 0.646 . . . . 0.0 110.15 175.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.84 174.33 43.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.12 -15.53 61.48 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.974 0.51 . . . . 0.0 111.916 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -155.21 167.81 29.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.273 1.029 . . . . 0.0 109.563 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -63.12 -40.97 99.17 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.29 0.636 . . . . 0.0 112.109 -175.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -62.81 -39.16 93.4 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.289 0.635 . . . . 0.0 110.346 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.67 -39.75 57.08 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.546 0.739 . . . . 0.0 110.617 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -49.59 74.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -63.67 -37.82 88.8 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 119.314 -0.375 . . . . 0.0 111.064 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.87 71.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.405 0.548 . . . . 0.0 110.953 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -75.64 -51.0 13.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.833 0.453 . . . . 0.0 110.777 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.771 0.429 . . . . 0.0 111.442 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.36 -33.19 69.34 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.569 0.348 . . . . 0.0 110.701 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -66.43 -38.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -68.63 -43.66 75.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.071 0.548 . . . . 0.0 110.594 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -57.97 10.16 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.392 0.677 . . . . 0.0 110.032 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.68 42.94 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -92.65 -56.68 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.374 0.534 . . . . 0.0 111.476 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.91 -28.88 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.45 0.3 . . . . 0.0 111.717 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -95.68 -0.79 51.2 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.379 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 51.67 17.18 0.55 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.809 1.243 . . . . 0.0 112.785 -173.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 47.6 mt -130.18 107.14 9.08 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.765 1.226 . . . . 0.0 109.643 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.26 158.09 14.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.609 0.242 . . . . 0.0 110.805 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.634 179.402 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.454 -3.246 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.888 3.688 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C4'-C3'-C2' 99.241 -3.459 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C4'-C3'-C2' 99.044 -3.656 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.268 -3.432 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 N19-C1'-C2' 107.92 -3.425 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.736 -2.964 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.293 -3.407 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 C4'-C3'-C2' 99.214 -3.486 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.676 -3.024 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.504 -3.196 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 98.986 -3.714 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.395 -3.305 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.903 -2.797 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 C4'-C3'-C2' 99.824 -2.876 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.205 -3.495 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 O4'-C1'-N19 111.59 3.39 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.309 -3.391 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 112.254 4.054 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 98.905 -3.795 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 1 C5'-C4'-C3' 108.572 -4.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 1 O4'-C1'-N19 112.223 4.023 . 0.293 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C5'-C4'-C3' 111.927 -2.382 . 0.871 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C5'-C4'-C3' 111.306 -2.796 . 0.721 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 N19-C1'-C2' 108.807 -2.87 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 100.071 -2.629 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 O4'-C1'-N19 112.242 4.042 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.195 -3.505 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.076 -3.624 . 0.355 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.091 -3.609 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.448 -3.252 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.888 3.688 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.484 -3.216 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 C4'-C3'-C2' 99.158 -3.542 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.159 -3.541 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.23 -3.47 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.17 2.97 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 C5'-C4'-C3' 108.83 -4.447 . 0.851 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.109 -3.591 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.746 -3.954 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 C4'-C3'-C2' 98.336 -4.364 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 112.099 3.899 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PRO . . . . . 0.588 ' N ' HO2' ' A' ' 30' ' ' ' C' . 3.1 Cg_exo . . . . . 0 N--CA 1.475 0.406 0 CA-C-O 119.643 -0.232 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -141.8 168.04 20.7 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.55 0.74 . . . . 0.0 109.838 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 2.54 3.92 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.157 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 54.63 13.47 0.69 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.39 1.076 . . . . 0.0 113.465 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -60.61 160.65 17.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 123.477 0.711 . . . . 0.0 110.741 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' B' ' 51' ' ' ILE . 72.7 Cg_endo -71.44 -12.12 29.18 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.679 2.252 . . . . 0.0 111.224 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.53 -50.63 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.478 0.711 . . . . 0.0 110.009 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.81 -36.1 77.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.766 -0.159 . . . . 0.0 111.425 -176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 48' ' ' PRO . 46.4 mt -56.12 -53.99 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.06 -50.48 73.3 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.595 0.758 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -67.1 -5.7 14.4 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.71 0.804 . . . . 0.0 112.951 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.0 -32.92 6.43 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.619 0.645 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 tt -74.25 -59.65 2.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -145.51 83.08 9.19 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 122.913 0.485 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.68 177.2 7.16 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.085 2.523 . . . . 0.0 109.968 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.18 50.66 0.53 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.98 -177.09 4.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.803 0.841 . . . . 0.0 110.564 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 50.5 mtmt -143.11 110.02 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.491 ' CG ' HG13 ' B' ' 79' ' ' VAL . 48.1 m-85 -84.18 156.06 22.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 121.621 0.724 . . . . 0.0 111.275 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -140.64 119.08 12.2 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.747 1.219 . . . . 0.0 108.617 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.541 ' C ' HD22 ' B' ' 64' ' ' LEU . 66.8 t80 -82.89 139.53 33.38 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.541 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.7 mm? -120.78 159.21 25.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.501 0.72 . . . . 0.0 109.756 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.15 173.71 0.07 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -167.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 174.29 6.91 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.857 0.863 . . . . 0.0 112.319 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -158.66 174.82 14.46 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.301 1.04 . . . . 0.0 109.325 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -177.6 46.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.013 0.34 . . . . 0.0 112.662 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.62 179.98 3.9 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.749 1.219 . . . . 0.0 109.783 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.1 m -60.01 3.31 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -129.49 -0.33 4.99 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 111.746 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.52 11.44 0.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.358 0.663 . . . . 0.0 111.033 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -54.97 143.78 25.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.712 0.805 . . . . 0.0 111.652 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 p -142.83 155.25 44.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.499 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -139.12 161.71 36.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -134.88 153.89 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 117.954 -1.499 . . . . 0.0 110.426 177.24 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -138.57 134.28 33.62 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -130.82 169.63 15.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -174.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.7 OUTLIER -146.82 161.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.376 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.61 112.83 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 169.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -137.26 138.85 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.91 11.84 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.34 70.02 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -79.25 170.35 16.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -131.45 145.68 51.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 110.222 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -140.92 162.75 34.72 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.514 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -147.17 159.89 43.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.055 0.942 . . . . 0.0 108.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.12 100.72 0.16 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 43.0 t -78.69 160.02 27.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.477 0.639 . . . . 0.0 110.277 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.12 174.26 41.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.36 -15.83 61.36 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -153.82 170.97 19.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 109.801 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.93 -47.95 83.7 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 123.011 0.524 . . . . 0.0 111.959 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.89 -43.17 99.39 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 122.505 0.322 . . . . 0.0 111.295 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.07 -38.84 86.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.668 0.387 . . . . 0.0 110.135 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.36 76.39 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -63.75 -38.86 92.7 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 122.185 -0.322 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.87 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.326 0.512 . . . . 0.0 110.818 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -74.37 -54.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.968 0.507 . . . . 0.0 110.639 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.21 75.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.533 0.333 . . . . 0.0 111.73 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.48 68.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.495 0.318 . . . . 0.0 110.245 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -64.39 -36.07 82.96 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 65.0 m -70.22 -44.51 68.46 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.61 88.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.017 0.527 . . . . 0.0 110.146 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.48 -59.35 5.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.871 0.868 . . . . 0.0 109.396 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.15 -17.83 12.61 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.4 m -100.78 -57.77 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.423 0.556 . . . . 0.0 111.653 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -66.53 -30.91 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 122.573 0.349 . . . . 0.0 111.506 -174.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -89.68 -8.7 51.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.956 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 m120 57.21 19.1 4.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.454 0.701 . . . . 0.0 111.288 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.2 mt -131.32 108.85 9.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.84 1.256 . . . . 0.0 109.261 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -62.69 158.19 19.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.555 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.498 178.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 111.78 3.58 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.241 -3.459 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 99.048 -3.652 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.27 -3.43 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.344 -3.356 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.361 -3.339 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.506 -3.194 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.81 -2.89 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.673 -3.027 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.357 -3.343 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 98.872 -3.828 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.367 -3.333 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.599 -3.101 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.521 -3.179 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.379 -3.321 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.199 -3.501 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.19 -3.51 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 112.147 3.947 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.35 -3.35 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 O4'-C1'-N19 111.069 2.869 . 0.558 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.584 2.384 . 0.556 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C5'-C4'-C3' 111.76 -2.493 . 0.817 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C5'-C4'-C3' 110.934 -3.044 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.366 -3.334 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C4'-C3'-C2' 99.491 -3.209 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.904 3.704 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.028 -3.672 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.111 -3.589 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.588 HO2' ' N ' ' B' ' 43' ' ' PRO . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 O4'-C1'-N19 111.866 3.666 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.574 -3.126 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 111.989 3.789 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 99.414 -3.286 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C4'-C3'-C2' 99.088 -3.612 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.02 -3.68 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.32 -3.38 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 111.103 2.903 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 108.916 -4.389 . 0.823 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 99.036 -3.664 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 98.915 -3.785 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C4'-C3'-C2' 98.431 -4.269 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 O4'-C1'-N19 112.15 3.95 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo . . . . . 0 N--CA 1.471 0.147 0 CA-C-O 120.547 0.144 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -69.7 -4.02 17.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.297 0.639 . . . . 0.0 112.465 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.85 -7.12 88.49 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.682 -0.51 . . . . 0.0 112.547 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.01 170.45 12.78 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 117.769 0.784 . . . . 0.0 110.545 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -147.23 138.03 12.82 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.427 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.2 Cg_endo -75.01 -14.73 21.03 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.484 2.789 . . . . 0.0 112.979 -170.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.01 -46.0 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 118.455 0.57 . . . . 0.0 109.99 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.1 tpp -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.7 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.6 pt -62.71 -37.91 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.626 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.24 -50.43 73.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.74 -10.28 12.21 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.903 1.281 . . . . 0.0 112.659 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.61 -13.19 14.86 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.832 0.742 . . . . 0.0 111.668 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.1 tt -104.93 -38.82 6.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.596 0.18 . . . . 0.0 110.892 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -157.15 80.31 3.45 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 122.26 0.224 . . . . 0.0 110.809 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.13 178.29 6.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.147 2.565 . . . . 0.0 109.284 173.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 40.83 2.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.22 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.48 -176.91 3.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.323 1.049 . . . . 0.0 110.092 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.21 155.08 49.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.461 ' CG ' HG13 ' B' ' 79' ' ' VAL . 34.4 m-85 -128.69 154.08 46.67 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -139.74 114.27 9.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.229 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.99 148.03 50.72 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.869 0.467 . . . . 0.0 110.165 175.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.44 161.23 30.85 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.798 0.839 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -49.59 172.54 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.377 2.271 . . . . 0.0 116.237 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.452 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 11.5 pt-20 -130.57 159.24 37.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 110.804 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 61.8 m -155.18 170.36 22.02 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.572 0.749 . . . . 0.0 110.448 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.41 37.26 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.892 0.758 . . . . 0.0 112.572 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -87.65 175.25 7.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.304 0.642 . . . . 0.0 110.073 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -62.72 -3.17 1.39 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -123.59 3.65 8.96 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.766 0.826 . . . . 0.0 111.197 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.86 11.85 1.83 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.133 0.973 . . . . 0.0 110.436 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -57.0 147.85 22.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.683 1.193 . . . . 0.0 111.69 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -146.02 161.3 40.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.097 0.559 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 32.8 m-85 -146.05 171.53 14.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.783 1.233 . . . . 0.0 108.272 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -147.56 160.14 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.332 175.385 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.2 mmm -128.99 158.63 38.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.732 1.213 . . . . 0.0 108.107 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -135.29 170.89 15.24 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.6 t -147.32 166.23 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.94 109.13 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.95 126.02 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.934 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 57.78 8.92 0.76 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.206 1.002 . . . . 0.0 112.896 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.1 -13.16 34.12 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.135 0.874 . . . . 0.0 111.819 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.9 173.55 12.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -133.81 145.94 50.21 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -141.41 167.59 21.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.581 0.352 . . . . 0.0 111.656 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.92 161.23 42.29 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.291 0.637 . . . . 0.0 109.919 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.75 120.06 0.74 Allowed Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 92.4 p -92.48 170.26 9.9 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 117.009 0.405 . . . . 0.0 110.902 177.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.37 172.08 43.36 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.56 -14.74 60.83 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 122.544 -0.386 . . . . 0.0 111.03 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -147.78 165.24 31.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.127 0.971 . . . . 0.0 109.449 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.85 -38.72 89.27 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LYS . . . . . 0.48 ' HE3' ' OP2' ' A' ' 30' ' ' ' C' . 41.3 mtpt -69.27 -39.17 78.56 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-O 120.671 0.272 . . . . 0.0 110.888 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.98 -37.2 69.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.267 0.627 . . . . 0.0 110.002 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.23 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.751 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -64.23 -33.24 75.36 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 122.151 -0.343 . . . . 0.0 110.207 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.18 80.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.168 0.44 . . . . 0.0 110.988 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -71.28 -53.78 13.1 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.441 0.564 . . . . 0.0 110.516 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.07 79.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.314 0.246 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.04 63.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.126 0.57 . . . . 0.0 110.726 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -66.53 -36.22 82.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.152 -0.342 . . . . 0.0 110.25 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -66.58 -45.1 80.36 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.9 89.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.35 0.26 . . . . 0.0 110.452 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.429 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.1 tt -63.87 -68.05 0.38 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.535 0.734 . . . . 0.0 109.854 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.42 -16.2 8.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -93.83 -60.25 1.8 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.724 0.693 . . . . 0.0 111.002 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.18 -28.29 43.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 O-C-N 122.3 -0.25 . . . . 0.0 111.21 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.9 m-30 -91.35 -0.32 57.63 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.521 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 54.9 14.13 0.86 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.745 1.218 . . . . 0.0 113.775 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 mt -118.5 -165.43 1.12 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.577 1.151 . . . . 0.0 110.418 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -136.96 162.07 34.28 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.307 -1.33 . . . . 0.0 110.503 179.842 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.741 -2.959 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 111.965 3.765 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 99.311 -3.389 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C4'-C3'-C2' 99.012 -3.688 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.216 -3.484 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.268 -3.432 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.108 -3.592 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 O4'-C1'-N19 111.179 2.979 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.325 -3.375 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.531 -3.169 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 99.582 -3.118 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 98.822 -3.878 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.318 -3.382 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.347 -3.353 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.533 -3.167 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.058 -3.642 . 0.466 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.347 -3.353 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.417 -3.283 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.182 2.982 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 1 C5'-C4'-C3' 109.146 -4.236 . 0.693 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 C5'-C4'-C3' 108.652 -4.565 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 O4'-C1'-N19 112.804 4.604 . 0.28 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 O4'-C1'-N19 110.946 2.746 . 0.87 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C5'-C4'-C3' 109.971 -3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.866 -2.834 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.579 -3.121 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 98.78 -3.92 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.165 -3.535 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 C5'-C4'-C3' 108.237 -4.842 . 0.327 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.48 ' OP2' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C4'-C3'-C2' 99.53 -3.17 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.44 -3.26 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.172 -3.528 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 0 C4'-C3'-C2' 99.313 -3.387 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.177 -3.523 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.13 -3.57 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 O4'-C1'-N19 111.783 3.583 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.184 -3.516 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 98.927 -3.773 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.0 -3.7 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 98.773 -3.927 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.402 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 C4'-C3'-C2' 98.349 -4.351 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 112.151 3.951 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo . . . . . 0 N--CA 1.478 0.6 0 CA-C-O 120.09 -0.046 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -145.59 171.85 14.1 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.064 0.546 . . . . 0.0 110.084 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.25 2.49 11.46 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.569 0.604 . . . . 0.0 112.065 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 54.84 16.14 1.35 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.249 1.02 . . . . 0.0 112.836 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -60.66 161.61 14.2 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.812 0.845 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.426 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 71.7 Cg_endo -72.39 -9.17 23.86 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.981 2.454 . . . . 0.0 110.951 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.78 -44.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.37 -50.41 59.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.889 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.1 pt -57.07 -40.67 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 118.984 0.811 . . . . 0.0 110.68 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.72 -52.72 63.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.03 -4.83 3.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.486 1.115 . . . . 0.0 112.809 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.37 -13.88 13.84 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.929 0.492 . . . . 0.0 111.008 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -107.3 -34.75 7.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.565 0.346 . . . . 0.0 111.296 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -154.07 71.47 6.4 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 122.687 0.395 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.24 178.89 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.142 2.561 . . . . 0.0 109.406 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.35 54.78 2.48 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -174.92 3.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.85 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -140.52 101.77 4.18 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.482 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' TYR . . . . . 0.454 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.6 m-85 -81.85 151.32 27.39 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.202 0.525 . . . . 0.0 110.411 174.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -138.88 111.71 7.78 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.591 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.16 148.69 50.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.826 0.45 . . . . 0.0 109.957 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -128.65 156.11 43.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.052 0.941 . . . . 0.0 109.185 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -54.28 161.11 1.43 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -167.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 7.8 pt-20 -81.65 173.03 12.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.053 1.341 . . . . 0.0 112.119 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -158.26 170.4 22.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.689 0.795 . . . . 0.0 110.037 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.94 176.85 38.45 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.472 1.034 . . . . 0.0 113.487 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -81.17 172.5 13.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.134 0.974 . . . . 0.0 110.257 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -66.32 -28.98 69.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -81.78 -6.39 59.02 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.48 22.28 1.66 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.003 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -51.44 141.11 16.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.013 0.925 . . . . 0.0 111.532 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -137.04 161.95 34.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.228 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.1 m-85 -146.45 175.26 10.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.935 1.294 . . . . 0.0 108.157 -176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -146.91 159.42 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.176 176.472 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.0 mmm -129.26 156.79 43.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.492 1.117 . . . . 0.0 108.091 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -133.8 168.6 18.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.454 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.65 162.25 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.133 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.91 110.13 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 170.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.9 t -126.81 120.19 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.207 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.89 5.08 0.46 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.606 1.163 . . . . 0.0 112.998 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.13 11.95 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.451 1.024 . . . . 0.0 112.113 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -76.59 171.04 15.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 117.619 0.71 . . . . 0.0 109.32 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.1 143.88 49.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -140.5 167.12 22.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.766 0.317 . . . . 0.0 111.668 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.77 161.5 39.79 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.881 0.872 . . . . 0.0 109.177 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.18 107.45 0.23 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.4 p -83.42 167.73 17.22 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.378 0.589 . . . . 0.0 110.507 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.38 171.53 44.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.48 -11.56 60.5 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -140.49 164.45 30.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -67.63 -28.66 67.92 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.794 173.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.39 -49.25 35.28 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.378 1.071 . . . . 0.0 110.044 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.72 -41.05 98.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.077 0.951 . . . . 0.0 109.605 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.55 93.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.626 0.37 . . . . 0.0 110.773 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -64.47 -34.84 79.14 Favored 'General case' 0 C--O 1.225 -0.234 0 O-C-N 122.155 -0.341 . . . . 0.0 110.534 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.64 -32.24 73.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.402 0.547 . . . . 0.0 110.506 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.63 -50.15 18.88 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.404 0.281 . . . . 0.0 110.96 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.85 81.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.96 70.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.577 0.351 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -62.66 -36.2 82.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.6 m -69.25 -44.73 71.34 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.64 80.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 110.79 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' LEU . . . . . 0.424 HD23 ' C ' ' B' ' 105' ' ' LEU . 6.3 tt -64.35 -68.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 109.704 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.6 -48.77 28.13 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.5 m -65.98 -61.86 1.81 Allowed 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.06 0.391 . . . . 0.0 111.76 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.38 -24.76 29.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -171.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.6 m-30 -92.48 -3.98 54.34 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.111 -0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 m120 59.11 25.88 14.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.636 0.775 . . . . 0.0 111.892 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.44 -168.62 1.91 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.205 1.002 . . . . 0.0 110.749 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' HIS . . . . . 0.452 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 36.9 t-80 -134.37 -179.97 5.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.511 0.724 . . . . 0.0 109.571 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' LEU . . . . . 0.452 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.426 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.234 -3.466 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.62 3.42 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 99.263 -3.437 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.084 -3.616 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.405 -3.295 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.278 -3.422 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 98.981 -3.719 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.451 -3.249 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.846 -2.854 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.86 -2.84 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.749 -2.951 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 98.968 -3.732 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.493 -3.207 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.497 -3.203 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.672 -3.028 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.155 -3.545 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.157 -3.543 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.342 -3.358 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.178 2.978 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 1 C5'-C4'-C3' 108.688 -4.542 . 0.628 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.975 2.775 . 0.712 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.462 " H1'" ' OP2' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-C3' 110.437 -3.376 OUTLIER-EPSILON 0.496 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.462 ' OP2' " H1'" ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.128 2 P-O3'-C3' 126.305 5.505 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C5'-C4'-C3' 110.733 -3.178 . 0.764 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.376 -3.324 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.563 -3.137 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 O4'-C1'-N19 112.234 4.034 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.393 -3.307 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.396 -3.304 . 0.481 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 98.969 -3.731 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 99.723 -2.977 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 O4'-C1'-N19 111.78 3.58 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.6 -3.1 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C4'-C3'-C2' 99.215 -3.485 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.115 -3.585 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.115 -3.585 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 O4'-C1'-N19 111.37 3.17 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-C3' 108.816 -4.456 . 0.596 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 C4'-C3'-C2' 99.045 -3.655 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.148 -3.552 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.525 -4.175 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 112.177 3.977 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.7 Cg_endo . . . . . 0 N--CA 1.455 -0.754 0 N-CA-C 111.588 -0.197 . . . . 0.0 111.588 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.62 -50.69 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.07 0.548 . . . . 0.0 110.233 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.95 -36.4 83.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.305 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.6 mt -57.57 -54.63 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.72 -51.03 70.39 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.184 0.994 . . . . 0.0 109.696 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -65.4 -9.67 27.15 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.504 0.722 . . . . 0.0 112.747 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -107.05 -33.28 7.52 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.286 0.494 . . . . 0.0 110.841 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.0 tt -73.3 -50.84 19.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -153.46 84.84 4.23 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.573 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.46 177.81 6.32 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.139 2.559 . . . . 0.0 109.573 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.34 35.1 1.66 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 -178.36 4.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.88 0.872 . . . . 0.0 110.586 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -137.31 157.23 47.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 35.8 m-85 -130.36 154.09 48.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -138.93 110.92 7.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.225 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -71.79 146.26 48.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.47 158.31 37.72 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.655 0.782 . . . . 0.0 109.913 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -53.57 173.74 0.05 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.413 1.885 . . . . 0.0 115.366 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -117.31 170.48 8.67 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.16 0.984 . . . . 0.0 112.215 -175.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -151.02 172.25 16.02 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.092 0.957 . . . . 0.0 110.296 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.44 174.46 46.09 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 123.861 0.743 . . . . 0.0 113.026 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -81.99 173.66 11.99 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 -14.37 60.63 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -106.24 -0.3 24.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.991 0.516 . . . . 0.0 111.782 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.05 18.87 2.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.285 1.034 . . . . 0.0 109.616 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -56.57 152.45 11.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.443 1.097 . . . . 0.0 112.225 -171.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.2 p -144.84 158.37 43.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.585 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 41.0 m-85 -144.01 170.56 15.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.793 1.237 . . . . 0.0 108.358 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.2 OUTLIER -144.12 157.5 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.476 172.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpt -143.93 133.55 23.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -120.97 173.17 7.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.92 165.63 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.503 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.0 110.49 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.91 128.41 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 57.45 9.53 0.78 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.857 0.863 . . . . 0.0 112.75 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.53 -12.6 47.13 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.155 0.884 . . . . 0.0 111.667 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.2 174.17 11.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -134.19 145.86 49.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.21 164.38 30.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.774 0.43 . . . . 0.0 110.739 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -145.78 162.39 37.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.867 0.467 . . . . 0.0 109.833 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.18 111.27 0.36 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 76.3 p -86.15 171.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.315 0.557 . . . . 0.0 110.384 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.16 171.28 43.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -71.87 -17.69 62.1 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -147.69 171.05 16.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 109.685 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.27 -36.52 83.95 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.46 -41.03 80.77 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 118.077 0.399 . . . . 0.0 110.474 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -40.35 94.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.846 0.859 . . . . 0.0 109.704 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.26 48.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.37 0.268 . . . . 0.0 110.691 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -62.57 -33.39 74.86 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.94 89.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.485 0.584 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -69.48 -49.17 57.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.529 0.332 . . . . 0.0 110.703 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.73 84.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.021 0.529 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.17 73.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 122.112 0.165 . . . . 0.0 110.587 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -62.57 -39.21 92.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -67.0 -45.28 78.04 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.36 90.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.475 0.31 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.435 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.1 tt -63.04 -66.58 0.52 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.693 0.797 . . . . 0.0 109.433 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.14 60.38 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -71.72 -59.62 2.66 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.959 -0.463 . . . . 0.0 111.891 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.06 -30.31 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 117.833 0.288 . . . . 0.0 111.62 -174.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -88.64 -5.53 58.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.071 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.01 23.22 9.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.547 0.739 . . . . 0.0 112.218 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.34 -164.28 1.31 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.601 1.16 . . . . 0.0 109.963 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -137.95 162.09 34.97 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.342 -1.313 . . . . 0.0 110.467 179.399 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.44 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 72.9 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.386 -0.275 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -52.09 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 122.893 0.477 . . . . 0.0 110.651 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.97 -44.89 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.15 -38.27 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.293 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.414 ' C ' HD23 ' B' ' 52' ' ' LEU . 3.8 tt -61.61 -56.65 17.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.64 -0.7 2.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.893 0.877 . . . . 0.0 112.968 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -117.76 -9.68 10.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.31 0.505 . . . . 0.0 111.599 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -102.89 -42.73 5.74 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.979 0.354 . . . . 0.0 110.239 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.7 79.21 8.76 Favored Pre-proline 0 N--CA 1.455 -0.194 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.07 -177.7 3.67 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.92 3.08 . . . . 0.0 109.702 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.55 28.57 5.96 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.066 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.7 -171.79 2.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.58 0.752 . . . . 0.0 110.111 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.472 ' HB3' ' HE2' ' B' ' 60' ' ' LYS . 11.1 ptpt -150.43 151.53 32.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.492 ' CG ' HG13 ' B' ' 79' ' ' VAL . 30.3 m-85 -121.24 157.76 29.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.348 0.594 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.06 156.84 43.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.594 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.542 ' C ' HD22 ' B' ' 64' ' ' LEU . 19.1 t80 -116.83 127.11 53.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 175.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.542 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.5 mm? -115.13 161.66 18.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.447 -173.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -51.12 166.28 0.1 Allowed 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -165.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.53 170.0 8.9 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.976 0.911 . . . . 0.0 112.144 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -152.96 172.59 16.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.901 0.88 . . . . 0.0 110.431 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.62 174.34 49.2 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.976 0.798 . . . . 0.0 113.015 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.83 171.73 12.01 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.507 0.723 . . . . 0.0 109.893 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.5 m -62.21 -31.06 71.55 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -83.84 -4.64 58.83 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.78 19.57 1.82 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.502 0.721 . . . . 0.0 110.462 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -55.1 151.51 9.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.108 0.963 . . . . 0.0 111.756 -172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -142.21 159.2 42.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.242 0.617 . . . . 0.0 109.821 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.64 174.6 10.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.755 1.222 . . . . 0.0 108.508 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.17 154.73 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 118.803 -1.159 . . . . 0.0 110.747 172.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mmm -121.84 155.5 35.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 87' ' ' GLU . 59.1 m -136.88 170.36 16.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 172.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.492 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.2 t -148.34 163.42 5.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 121.965 -0.459 . . . . 0.0 110.025 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -134.72 112.13 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.31 129.29 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.645 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 22.2 t70 57.71 7.36 0.55 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.768 0.827 . . . . 0.0 112.453 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.18 -11.4 44.13 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.625 1.107 . . . . 0.0 111.918 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -78.41 171.15 15.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -131.78 142.53 49.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.94 164.99 28.52 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.785 0.434 . . . . 0.0 110.804 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HA ' ' B' ' 78' ' ' SER . 35.4 tt0 -148.8 159.92 43.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.434 1.094 . . . . 0.0 108.089 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.83 109.53 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -83.3 167.04 17.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.026 0.413 . . . . 0.0 111.488 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.94 171.97 44.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.92 -18.29 62.03 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 117.379 0.589 . . . . 0.0 111.436 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -147.54 169.0 20.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.693 0.797 . . . . 0.0 109.373 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -67.11 -25.52 66.25 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -72.38 -49.19 35.82 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.125 0.57 . . . . 0.0 109.642 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.0 -39.25 87.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.883 1.273 . . . . 0.0 109.952 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.22 78.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -63.47 -34.88 78.75 Favored 'General case' 0 C--N 1.34 0.193 0 O-C-N 121.95 -0.469 . . . . 0.0 110.704 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.8 70.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.239 0.472 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.99 -47.79 17.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.343 0.257 . . . . 0.0 110.951 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.92 84.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.529 0.332 . . . . 0.0 110.517 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.46 -37.41 68.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.859 0.464 . . . . 0.0 110.756 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -63.66 -38.92 92.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -66.39 -45.78 78.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.52 83.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.331 0.252 . . . . 0.0 111.11 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.431 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.3 tt -66.03 -66.89 0.49 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.261 0.624 . . . . 0.0 109.575 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.24 -43.42 52.96 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -70.96 -58.86 3.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.021 -0.424 . . . . 0.0 111.801 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.42 -28.7 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.712 0.233 . . . . 0.0 111.385 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.4 m-30 -92.22 -4.77 53.64 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.949 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.68 24.49 12.22 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.471 0.708 . . . . 0.0 111.98 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.44 -168.31 1.82 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.108 0.963 . . . . 0.0 110.759 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . 0.48 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -131.95 -178.78 5.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 0.0 110.094 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.48 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.402 -177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' B' ' 51' ' ' ILE . 82.2 Cg_endo . . . . . 0 N--CA 1.456 -0.732 0 CA-C-O 119.947 -0.105 . . . . 0.0 112.128 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.27 -50.74 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.432 0.293 . . . . 0.0 110.417 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.85 -32.24 70.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.342 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.3 mt -58.3 -53.49 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.87 -49.66 72.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.22 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -70.7 -2.04 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -110.61 -26.47 9.43 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 119.141 0.882 . . . . 0.0 110.279 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 109' ' ' PHE . 1.3 tt -82.35 -58.02 3.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -145.42 81.48 10.24 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 123.195 0.598 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.39 179.34 5.16 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.238 2.625 . . . . 0.0 110.021 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 54.63 0.8 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.93 -174.87 3.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 110.369 -176.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.2 mtmt -143.74 109.07 5.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.835 0.454 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.478 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -86.01 152.95 22.5 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.202 0.525 . . . . 0.0 111.165 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -141.13 113.99 8.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.335 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -68.85 148.42 50.28 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.06 0.544 . . . . 0.0 110.254 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.32 160.33 34.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.892 0.877 . . . . 0.0 110.045 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.7 m -53.09 175.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.979 2.111 . . . . 0.0 115.573 -168.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.421 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -113.64 172.39 7.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.226 1.01 . . . . 0.0 112.497 -174.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.7 m -154.33 174.38 14.91 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.617 1.167 . . . . 0.0 110.063 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.41 176.06 44.11 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.751 0.691 . . . . 0.0 113.267 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.44 171.04 12.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.451 0.7 . . . . 0.0 109.965 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.1 m -63.31 -28.9 70.32 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -84.83 -7.61 59.12 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.28 22.24 2.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.824 0.849 . . . . 0.0 110.078 -177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -55.11 153.79 6.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 111.632 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.9 p -141.39 159.65 41.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.203 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 30.6 m-85 -145.19 173.19 12.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.923 1.289 . . . . 0.0 107.714 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.3 OUTLIER -147.01 159.08 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.202 176.103 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.3 mmm -127.46 155.91 42.96 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 91.6 p -132.98 169.23 17.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.2 160.38 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.939 179.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.7 t -132.48 109.76 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.57 137.53 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.06 10.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.07 0.548 . . . . 0.0 112.433 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.86 -11.23 68.1 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.802 0.715 . . . . 0.0 111.406 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.51 169.27 18.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -132.09 144.45 50.74 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.0 167.26 22.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.824 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -147.04 161.98 39.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.909 0.883 . . . . 0.0 109.351 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.63 113.46 0.42 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 77.4 p -86.7 170.59 11.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.198 0.499 . . . . 0.0 110.98 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.43 172.55 44.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -70.58 -22.91 62.52 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.206 0.503 . . . . 0.0 111.522 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -143.33 168.21 20.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.99 0.916 . . . . 0.0 108.787 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -63.9 -30.13 71.25 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -77.23 -40.15 45.94 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.175 0.443 . . . . 0.0 110.624 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.96 -39.24 87.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.599 0.76 . . . . 0.0 109.052 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.56 92.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.834 0.454 . . . . 0.0 110.83 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -64.11 -35.02 79.38 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 122.091 -0.381 . . . . 0.0 110.624 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.37 72.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.311 0.505 . . . . 0.0 110.448 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -74.01 -53.2 10.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.389 0.276 . . . . 0.0 110.658 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.99 85.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.981 0.512 . . . . 0.0 111.117 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.52 70.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.645 0.378 . . . . 0.0 110.794 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.95 -38.5 88.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.041 -0.412 . . . . 0.0 110.058 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -66.01 -43.68 86.99 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 118.094 0.406 . . . . 0.0 110.092 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.28 92.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.768 0.427 . . . . 0.0 110.414 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.41 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.9 tt -60.71 -65.19 0.73 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.941 0.896 . . . . 0.0 109.9 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.15 21.46 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 88.8 m -93.76 -58.38 2.28 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.731 0.696 . . . . 0.0 111.064 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.49 -27.51 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 122.804 0.442 . . . . 0.0 111.152 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' B' ' 55' ' ' LEU . 3.7 m-30 -94.89 -5.68 44.38 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.214 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 58.81 21.95 9.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.554 0.742 . . . . 0.0 112.433 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.59 -167.7 1.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.899 0.88 . . . . 0.0 110.803 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 32.1 t-80 -130.37 -178.03 4.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.382 0.673 . . . . 0.0 110.135 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.499 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.085 -1.436 . . . . 0.0 110.404 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' B' ' 51' ' ' ILE . 57.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.659 -0.554 . . . . 0.0 110.659 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.76 -49.17 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.148 0.579 . . . . 0.0 109.918 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -71.11 -33.69 70.39 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 119.24 -0.41 . . . . 0.0 111.773 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 56.6 mt -59.56 -54.09 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.16 -50.17 74.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.689 0.796 . . . . 0.0 109.688 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -65.22 -10.28 30.46 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.459 0.704 . . . . 0.0 112.637 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -106.77 -30.18 9.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.508 0.595 . . . . 0.0 111.045 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.1 tt -79.71 -48.32 13.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.424 -0.173 . . . . 0.0 110.823 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -152.41 80.33 5.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -71.94 -179.69 4.08 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.508 2.806 . . . . 0.0 110.336 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.91 56.08 1.26 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.22 -171.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.826 1.251 . . . . 0.0 109.572 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -143.99 104.24 4.12 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.591 0.356 . . . . 0.0 111.538 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.455 ' CG ' HG13 ' B' ' 79' ' ' VAL . 54.4 m-85 -82.19 150.9 27.15 Favored 'General case' 0 N--CA 1.458 -0.056 0 CA-C-O 121.247 0.546 . . . . 0.0 110.916 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -141.28 112.78 7.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.265 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -68.49 148.4 50.64 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 122.961 0.505 . . . . 0.0 110.141 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.54 159.99 35.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.028 0.931 . . . . 0.0 109.973 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -52.88 174.74 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.968 2.107 . . . . 0.0 115.739 -168.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -119.16 173.5 6.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.328 1.051 . . . . 0.0 112.554 -175.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.2 t -160.79 176.33 11.61 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.882 0.873 . . . . 0.0 109.94 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.0 174.75 50.46 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.031 0.824 . . . . 0.0 113.544 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.93 173.86 12.11 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.33 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.0 m -68.84 -9.37 50.99 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -114.0 -3.15 13.37 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.323 0.649 . . . . 0.0 111.578 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.56 17.84 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.37 1.068 . . . . 0.0 109.461 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -55.36 152.05 9.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.405 1.082 . . . . 0.0 111.436 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p -141.38 157.92 44.55 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 40.5 m-85 -144.11 172.43 12.9 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.202 1.401 . . . . 0.0 107.358 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -147.95 156.98 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 118.198 -1.401 . . . . 0.0 111.26 175.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mmm -124.89 155.15 39.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 174.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 93.7 p -132.81 169.05 17.3 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.84 159.51 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.26 109.46 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.403 HG13 HG21 ' B' ' 108' ' ' VAL . 2.3 p -133.6 137.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.25 11.15 0.73 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.462 0.705 . . . . 0.0 112.567 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.28 -10.93 65.5 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 123.901 0.762 . . . . 0.0 111.637 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.0 169.45 17.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.59 143.86 50.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.673 0.389 . . . . 0.0 110.088 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.35 166.75 23.71 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.57 0.348 . . . . 0.0 111.751 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -147.04 162.56 38.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.765 0.826 . . . . 0.0 109.334 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 108.16 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 80.7 p -85.67 166.81 15.87 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 117.291 0.545 . . . . 0.0 110.892 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.77 173.07 43.93 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -72.23 -15.52 61.93 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 117.185 0.492 . . . . 0.0 112.061 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -152.47 166.94 30.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.271 1.028 . . . . 0.0 109.451 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.23 -38.69 87.56 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.6 -43.07 81.38 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 122.533 0.333 . . . . 0.0 110.744 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.76 -40.08 79.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.458 0.703 . . . . 0.0 109.977 -178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.06 93.69 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 111.132 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.15 -35.7 81.92 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.021 -0.425 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.55 71.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.256 0.48 . . . . 0.0 110.46 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -74.91 -51.44 13.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.412 0.285 . . . . 0.0 110.986 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.72 88.59 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.692 0.397 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -36.0 70.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.634 0.373 . . . . 0.0 110.781 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -66.58 -35.71 80.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -68.71 -44.88 72.98 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.68 86.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.901 0.48 . . . . 0.0 110.271 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.433 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.7 tt -61.53 -65.01 0.76 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.859 . . . . 0.0 109.834 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.87 -12.24 4.22 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -101.08 -58.42 1.89 Allowed 'General case' 0 N--CA 1.458 -0.04 0 CA-C-N 118.797 0.726 . . . . 0.0 111.195 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 HG13 ' B' ' 81' ' ' VAL . 60.8 t -66.22 -27.88 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.498 0.319 . . . . 0.0 111.364 -175.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -92.75 -5.21 51.7 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.379 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 58.67 20.4 7.72 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.544 0.738 . . . . 0.0 112.23 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.66 -164.22 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.489 1.116 . . . . 0.0 110.179 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -138.47 162.16 35.2 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.477 179.286 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 60.5 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.746 -0.521 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.04 -47.93 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.236 0.614 . . . . 0.0 110.052 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 9.0 mmt -69.98 -54.15 14.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.582 0.353 . . . . 0.0 111.638 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 13.8 pt -56.64 -29.67 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.466 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -69.37 -54.55 13.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -68.17 8.0 0.49 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.097 1.359 . . . . 0.0 112.719 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.13 -35.56 3.44 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 9.8 mt -63.66 -57.87 8.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.018 0.927 . . . . 0.0 109.558 174.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -157.55 95.06 2.08 Favored Pre-proline 0 N--CA 1.452 -0.351 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -72.34 176.87 8.03 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.185 2.59 . . . . 0.0 110.201 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.46 61.89 0.69 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -177.16 4.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.125 0.97 . . . . 0.0 110.42 -178.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 39.8 mtmt -140.92 104.65 4.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.474 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.4 m-85 -83.15 152.99 25.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.252 0.549 . . . . 0.0 110.646 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.07 112.13 7.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.956 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -68.64 147.72 51.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.858 0.463 . . . . 0.0 110.152 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.57 159.83 35.14 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.82 0.848 . . . . 0.0 109.706 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.7 p -53.82 175.38 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.504 1.922 . . . . 0.0 115.49 -168.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.39 173.04 7.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.898 0.879 . . . . 0.0 112.277 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.0 p -160.76 175.57 12.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 110.607 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.96 173.0 48.69 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 123.874 0.75 . . . . 0.0 112.923 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -78.47 175.29 10.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.477 0.711 . . . . 0.0 110.257 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m -64.83 -33.14 75.3 Favored 'General case' 0 CA--C 1.527 0.07 0 O-C-N 121.925 -0.484 . . . . 0.0 112.245 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -84.79 -4.48 59.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.308 0.643 . . . . 0.0 112.453 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 19.99 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.265 0.626 . . . . 0.0 110.664 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -55.36 147.37 17.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.679 0.792 . . . . 0.0 111.186 -174.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m -140.6 158.58 43.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.162 0.585 . . . . 0.0 109.962 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.5 m-85 -142.9 174.78 10.36 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.036 1.335 . . . . 0.0 107.965 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.34 158.64 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 118.464 -1.294 . . . . 0.0 111.512 174.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.7 mmm -127.48 157.04 41.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.0 p -134.0 168.98 17.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 168.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.05 161.95 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.07 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.34 109.42 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 171.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.19 127.62 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.19 8.44 0.56 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.052 0.941 . . . . 0.0 112.916 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 -12.49 37.98 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.167 0.889 . . . . 0.0 111.84 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.73 173.29 12.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -133.39 145.36 50.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -141.25 166.59 24.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.524 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -145.92 161.74 39.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.677 0.791 . . . . 0.0 109.37 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.88 107.23 0.23 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.2 p -83.64 166.94 17.73 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.413 0.607 . . . . 0.0 110.716 175.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.55 172.11 42.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.29 -22.71 63.78 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 117.178 0.489 . . . . 0.0 111.637 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -145.79 172.35 13.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.67 -41.03 94.26 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -71.85 -41.25 68.32 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 122.983 0.513 . . . . 0.0 111.374 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.71 -40.11 88.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.971 0.508 . . . . 0.0 109.741 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.35 93.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.627 0.371 . . . . 0.0 110.784 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.42 -36.94 85.8 Favored 'General case' 0 C--O 1.226 -0.171 0 O-C-N 122.159 -0.338 . . . . 0.0 110.46 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.99 0.359 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.64 -51.75 10.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.188 0.195 . . . . 0.0 110.595 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.16 86.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.543 0.337 . . . . 0.0 110.815 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.8 65.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.865 0.466 . . . . 0.0 110.742 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -69.41 -41.0 76.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.0 m -65.72 -42.81 90.62 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.79 78.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.588 0.355 . . . . 0.0 110.332 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.82 -49.76 67.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.438 -0.164 . . . . 0.0 110.588 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -18.22 40.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.0 m -103.47 -52.51 2.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.17 0.441 . . . . 0.0 111.807 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.6 -16.56 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 81.0 m-85 -118.88 -3.22 10.75 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.92 19.1 5.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.296 0.638 . . . . 0.0 112.067 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.1 mt -121.62 97.63 5.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.286 1.034 . . . . 0.0 109.452 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.21 151.67 26.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.823 -178.42 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.4 Cg_endo . . . . . 0 N--CA 1.449 -1.107 0 CA-C-O 119.738 -0.193 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.8 -47.68 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.1 tpp -72.53 -46.29 55.27 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.904 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 5.7 pt -61.3 -37.58 77.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.125 0 CA-C-N 118.891 0.769 . . . . 0.0 111.088 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.69 -50.26 74.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.48 -9.13 31.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.45 1.1 . . . . 0.0 113.163 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.95 -17.37 14.21 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.508 0.594 . . . . 0.0 111.331 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -97.75 -44.36 6.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -155.53 79.63 4.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.4 177.28 6.19 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.371 2.714 . . . . 0.0 110.542 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.13 59.49 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.88 -175.98 4.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.151 0.981 . . . . 0.0 110.365 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -138.24 149.28 45.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.448 ' CG ' HG13 ' B' ' 79' ' ' VAL . 36.5 m-85 -126.79 153.59 45.39 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -140.7 112.8 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.335 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.44 148.06 51.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.772 0.429 . . . . 0.0 110.028 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -130.37 160.34 34.28 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.72 0.808 . . . . 0.0 109.97 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -51.87 174.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 127.073 2.149 . . . . 0.0 115.656 -168.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -118.0 174.98 5.89 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.122 0.969 . . . . 0.0 112.462 -174.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.58 173.88 16.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.99 0.916 . . . . 0.0 110.015 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.63 52.15 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 123.166 0.412 . . . . 0.0 112.4 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -100.61 174.95 5.84 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.938 0.895 . . . . 0.0 110.185 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -0.54 0.64 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -119.6 -0.07 10.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.779 0.718 . . . . 0.0 111.546 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.35 15.44 1.3 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.104 0.962 . . . . 0.0 110.11 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -55.22 146.84 17.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.538 1.135 . . . . 0.0 112.017 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -142.25 159.2 42.69 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.383 0.673 . . . . 0.0 109.917 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 28.5 m-85 -143.61 174.0 11.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.156 1.383 . . . . 0.0 108.197 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -147.32 159.26 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.349 175.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.8 mmm -127.32 157.4 40.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.784 1.234 . . . . 0.0 108.133 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -134.18 170.3 15.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 168.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.5 t -147.69 164.89 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.14 108.9 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.2 125.64 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.782 -174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 7.4 t70 60.69 5.32 0.9 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.192 0.997 . . . . 0.0 112.821 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.73 -13.0 29.89 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.218 0.913 . . . . 0.0 111.675 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.81 173.63 12.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -133.36 145.85 50.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.79 166.99 23.22 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.599 0.36 . . . . 0.0 111.538 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.34 161.0 41.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.611 0.765 . . . . 0.0 109.731 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.09 116.65 0.58 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.3 p -93.39 167.89 11.43 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 117.173 0.486 . . . . 0.0 111.219 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.3 170.77 43.94 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.38 -16.39 62.96 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -147.75 169.53 19.54 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . 0.573 ' H ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -66.82 -25.88 66.66 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -175.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.6 -49.25 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.633 0.652 . . . . 0.0 110.259 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.33 -39.03 93.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.985 0.914 . . . . 0.0 109.628 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.25 74.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.746 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -64.13 -34.63 78.5 Favored 'General case' 0 C--O 1.225 -0.213 0 O-C-N 122.037 -0.414 . . . . 0.0 110.508 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.63 74.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.299 0.499 . . . . 0.0 110.444 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -75.12 -47.42 28.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.531 0.332 . . . . 0.0 110.779 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.823 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.86 68.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.223 0.609 . . . . 0.0 110.693 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -66.36 -38.23 87.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -67.18 -43.99 80.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.375 0.27 . . . . 0.0 110.484 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.88 -60.39 3.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.528 0.731 . . . . 0.0 109.869 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.1 19.0 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 98.2 m -99.86 -53.33 3.19 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 118.536 0.607 . . . . 0.0 111.866 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.47 -31.99 55.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 118.114 0.416 . . . . 0.0 111.195 -176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -90.59 -9.83 45.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.097 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 57.65 19.4 5.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.359 0.663 . . . . 0.0 111.64 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.4 109.09 10.79 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 124.548 1.139 . . . . 0.0 109.619 -177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.81 159.72 15.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.647 -1.168 . . . . 0.0 111.157 179.723 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.505 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.4 Cg_endo . . . . . 0 N--CA 1.455 -0.753 0 N-CA-C 111.231 -0.334 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.39 -54.56 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.714 0.806 . . . . 0.0 110.332 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.7 ttm -69.44 -30.32 68.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.017 0.376 . . . . 0.0 112.017 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' B' ' 48' ' ' PRO . 52.8 mt -58.98 -52.73 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.74 -49.54 74.92 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.329 1.052 . . . . 0.0 109.657 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -68.67 -5.83 22.52 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -103.94 -37.29 7.45 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.04 0.836 . . . . 0.0 110.23 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.5 tt -73.31 -49.36 27.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.419 0.288 . . . . 0.0 110.891 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -153.65 78.21 5.65 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.7 174.24 10.62 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.113 2.542 . . . . 0.0 110.017 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.19 51.73 0.81 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.05 -177.85 4.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.998 0.919 . . . . 0.0 110.801 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -140.95 105.45 4.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.496 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -84.41 154.95 22.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.265 0.555 . . . . 0.0 110.821 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.12 161.28 37.19 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.531 170.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -118.7 139.09 52.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.94 158.94 29.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.38 0.672 . . . . 0.0 109.957 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -54.35 172.05 0.1 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 126.021 1.728 . . . . 0.0 115.463 -167.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.87 175.88 5.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 112.425 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -149.53 169.07 21.78 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.245 1.018 . . . . 0.0 109.069 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.92 174.18 46.73 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.28 75.38 1.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.992 0.517 . . . . 0.0 110.762 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 44.5 m 63.72 -0.36 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.972 1.309 . . . . 0.0 113.208 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -138.09 151.06 47.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 47.92 20.19 0.22 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.85 0.46 . . . . 0.0 111.701 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -57.87 147.74 27.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 110.395 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 83.5 p -145.25 158.98 43.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -144.36 170.59 15.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.342 1.457 . . . . 0.0 107.525 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.13 157.54 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 118.378 -1.329 . . . . 0.0 111.537 175.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mmm -126.31 156.71 39.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.857 1.263 . . . . 0.0 107.867 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -130.86 170.41 14.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.496 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.4 161.92 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.49 110.23 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.18 127.01 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.681 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t70 57.1 8.94 0.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.882 0.873 . . . . 0.0 112.894 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.56 -12.67 39.26 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.12 0.867 . . . . 0.0 111.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.29 172.78 13.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -133.75 144.68 49.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.93 166.36 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.686 0.395 . . . . 0.0 111.545 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.42 162.62 37.84 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.572 0.749 . . . . 0.0 109.422 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.86 110.71 0.32 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 82.2 p -90.38 166.04 13.51 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.194 0.497 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.68 171.68 43.84 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -73.8 -13.19 60.9 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 117.337 0.568 . . . . 0.0 112.504 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -147.86 170.26 18.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.731 0.813 . . . . 0.0 109.359 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.9 -32.77 74.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -67.63 -51.61 47.98 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 123.568 0.747 . . . . 0.0 110.724 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.47 -39.5 94.62 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.428 1.091 . . . . 0.0 109.671 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.38 85.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.936 0.494 . . . . 0.0 111.109 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -65.39 -40.37 93.38 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 122.034 -0.416 . . . . 0.0 110.52 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.12 71.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.045 0.384 . . . . 0.0 110.591 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.6 -54.15 8.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.767 0.427 . . . . 0.0 110.758 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.22 77.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.592 0.357 . . . . 0.0 110.984 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.73 71.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.134 0.574 . . . . 0.0 110.529 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.55 -36.56 84.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -66.14 -45.92 79.32 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.087 0.403 . . . . 0.0 110.058 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.43 89.15 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.404 0.281 . . . . 0.0 110.531 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.426 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.9 tt -62.18 -65.8 0.63 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 109.626 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.34 -11.41 4.18 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -100.92 -58.39 1.9 Allowed 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.744 0.702 . . . . 0.0 111.063 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.54 -29.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.663 0.211 . . . . 0.0 111.107 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -89.86 -5.37 56.9 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.448 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 58.27 20.21 6.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.408 0.683 . . . . 0.0 112.343 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.3 -164.94 1.22 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.51 1.124 . . . . 0.0 110.096 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -137.69 161.83 35.46 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.276 -1.345 . . . . 0.0 110.528 179.3 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.447 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 81.2 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 N-CA-C 110.633 -0.564 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.57 -49.97 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.466 0.706 . . . . 0.0 110.673 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 34.8 mtp -74.64 -41.44 60.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.922 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.5 -33.58 51.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.406 ' C ' HD23 ' B' ' 52' ' ' LEU . 4.7 tt -63.49 -57.51 9.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -64.0 -0.44 1.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.954 1.302 . . . . 0.0 113.796 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -120.99 -14.61 8.42 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.894 0.77 . . . . 0.0 111.876 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -93.44 -51.26 5.05 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -153.81 81.95 4.66 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.98 174.38 8.92 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.947 2.431 . . . . 0.0 109.499 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.04 49.32 0.3 Allowed Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' B' ' 61' ' ' TYR . 0.4 OUTLIER -128.96 -177.8 4.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.648 0.779 . . . . 0.0 109.67 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 52.4 mtmt -147.04 99.89 3.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.333 0.653 . . . . 0.0 110.126 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.46 ' CE1' HD22 ' B' ' 59' ' ' LEU . 73.6 m-85 -77.69 154.25 32.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.674 0.75 . . . . 0.0 111.886 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -137.14 163.81 29.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.071 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -122.57 137.93 54.74 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.05 158.5 29.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.391 0.676 . . . . 0.0 110.121 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.5 m -54.53 170.62 0.15 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.746 1.618 . . . . 0.0 115.177 -166.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.22 174.19 6.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.971 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -157.6 173.49 16.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.507 0.723 . . . . 0.0 110.203 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.56 175.71 50.46 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.68 0.657 . . . . 0.0 112.727 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.44 174.79 9.78 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.523 0.729 . . . . 0.0 110.506 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m -65.07 -5.97 7.75 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -118.36 0.56 11.69 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.5 0.72 . . . . 0.0 111.646 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.68 16.84 2.17 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.301 1.04 . . . . 0.0 109.599 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -58.07 150.97 19.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.743 1.217 . . . . 0.0 112.179 -172.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -142.37 157.38 44.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.16 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -142.26 169.92 16.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.869 1.268 . . . . 0.0 107.736 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.24 157.09 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 118.341 -1.344 . . . . 0.0 111.067 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.42 154.73 43.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.833 1.253 . . . . 0.0 107.705 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.0 p -129.63 169.98 14.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.3 t -145.39 153.1 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.45 99.02 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.601 HG12 ' H ' ' B' ' 82' ' ' ASP . 3.2 t -77.16 -133.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.158 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . 0.601 ' H ' HG12 ' B' ' 81' ' ' VAL . 38.8 t70 -49.79 -5.37 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.328 2.251 . . . . 0.0 113.417 172.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 141.08 -14.55 2.81 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.291 0.948 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.94 165.41 23.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -125.67 143.86 50.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.724 0.409 . . . . 0.0 110.097 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -141.68 165.74 26.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.08 162.51 39.24 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.182 0.593 . . . . 0.0 109.866 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.72 116.29 0.58 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -98.78 160.55 14.19 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.264 0.532 . . . . 0.0 110.25 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.95 169.04 41.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ptm85 -70.3 -14.4 62.57 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.17 166.94 23.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.631 0.772 . . . . 0.0 108.932 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.12 -27.53 67.4 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -70.44 -50.83 34.2 Favored 'General case' 0 C--N 1.337 0.054 0 CA-C-N 118.176 0.444 . . . . 0.0 110.506 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.97 -39.83 95.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.482 1.113 . . . . 0.0 109.709 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.6 79.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.821 0.448 . . . . 0.0 110.844 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.36 -39.48 89.18 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 122.167 -0.333 . . . . 0.0 110.728 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.61 73.55 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.266 0.485 . . . . 0.0 110.796 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -71.38 -49.97 36.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.093 0.557 . . . . 0.0 110.928 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.4 72.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.708 0.403 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.71 -39.57 66.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.142 0.577 . . . . 0.0 110.791 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -62.35 -37.66 86.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 63.9 m -68.5 -44.37 74.83 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.92 88.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.961 0.504 . . . . 0.0 110.879 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.435 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.2 tt -63.6 -69.99 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.578 0.751 . . . . 0.0 109.757 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.85 -48.43 21.0 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.7 m -67.77 -58.18 5.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.95 -29.07 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 118.089 0.404 . . . . 0.0 111.397 -175.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.4 m-30 -87.65 -5.22 58.81 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.99 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.41 25.14 12.55 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.67 0.788 . . . . 0.0 111.978 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -127.19 -167.34 1.72 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.208 1.003 . . . . 0.0 110.581 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . 0.462 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -134.0 -179.53 5.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.347 0.659 . . . . 0.0 109.859 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.462 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 23.8 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.217 -1.373 . . . . 0.0 110.507 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' B' ' 51' ' ' ILE . 98.0 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 113.608 0.58 . . . . 0.0 113.608 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -49.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 118.392 0.542 . . . . 0.0 111.108 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -38.82 87.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.94 0.336 . . . . 0.0 111.347 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.7 mt -55.45 -51.42 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.51 -41.33 96.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 122.995 0.518 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.45 -2.47 3.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.861 0.464 . . . . 0.0 111.176 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -120.96 -14.68 8.41 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.21 -0.306 . . . . 0.0 110.44 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.771 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.5 OUTLIER -89.22 -37.18 15.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -165.91 86.87 0.93 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 123.876 0.87 . . . . 0.0 109.829 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -73.99 0.79 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.871 3.047 . . . . 0.0 113.769 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 67.83 3.51 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 118.375 0.534 . . . . 0.0 112.309 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.7 -174.87 4.09 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.288 0.635 . . . . 0.0 111.432 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.7 mtmt -145.04 111.32 5.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.845 0.858 . . . . 0.0 110.342 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.475 ' CG ' HG13 ' B' ' 79' ' ' VAL . 44.5 m-85 -85.52 154.25 21.89 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 121.301 0.572 . . . . 0.0 111.08 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.58 111.27 6.56 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.996 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.4 147.79 51.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.875 0.47 . . . . 0.0 110.025 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.34 157.85 40.75 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.554 0.742 . . . . 0.0 110.191 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -52.74 173.79 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.904 2.081 . . . . 0.0 115.619 -168.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 174.03 6.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.51 1.124 . . . . 0.0 112.161 -175.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.4 t -157.37 175.07 14.48 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.616 0.766 . . . . 0.0 110.065 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.95 176.46 43.7 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.872 0.748 . . . . 0.0 113.014 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.49 172.45 13.49 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.26 0.624 . . . . 0.0 110.229 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -66.58 -11.64 54.09 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -109.26 -1.26 18.72 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.162 0.585 . . . . 0.0 111.774 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.73 19.53 2.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.375 1.07 . . . . 0.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -56.77 155.31 7.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.844 1.258 . . . . 0.0 112.182 -171.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 79.8 p -142.62 159.51 42.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.204 0.602 . . . . 0.0 109.951 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -146.4 170.4 16.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.935 1.294 . . . . 0.0 108.079 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.56 157.13 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.026 175.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.8 mmm -125.34 155.3 40.49 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -133.87 169.34 17.22 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.475 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -145.89 158.4 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -130.94 111.3 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.433 HG13 HG21 ' B' ' 108' ' ' VAL . 2.5 p -136.08 137.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.21 11.29 0.75 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.26 0.624 . . . . 0.0 112.628 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.36 -11.37 68.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.723 0.678 . . . . 0.0 111.423 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.13 170.6 16.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -133.1 143.94 49.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -138.34 166.16 24.94 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.617 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -147.09 162.93 37.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 109.444 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.29 107.87 0.25 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.1 p -90.37 164.92 14.13 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.34 0.57 . . . . 0.0 110.922 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.67 171.32 42.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -75.81 -9.63 58.76 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 117.523 0.661 . . . . 0.0 111.933 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.6 160.32 43.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.625 1.17 . . . . 0.0 109.024 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.99 -30.86 71.09 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -66.75 -45.81 77.39 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.056 0.543 . . . . 0.0 110.379 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.25 -39.6 82.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.04 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.3 0.64 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -65.42 -38.62 90.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 122.123 -0.361 . . . . 0.0 110.771 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.74 73.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.24 0.473 . . . . 0.0 110.755 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.28 -51.95 18.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.241 0.616 . . . . 0.0 111.061 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.1 79.53 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.676 0.39 . . . . 0.0 111.031 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.97 70.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.99 0.516 . . . . 0.0 110.873 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -65.66 -36.47 83.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.95 -0.469 . . . . 0.0 110.009 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -65.97 -43.35 88.12 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.34 71.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.6 tm? -70.56 -62.6 1.33 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.25 -10.85 17.56 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -174.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.6 m -101.45 -62.93 1.19 Allowed 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.95 0.795 . . . . 0.0 111.955 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.433 HG21 HG13 ' B' ' 81' ' ' VAL . 54.5 t -62.19 -31.53 51.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.031 0 C-N-CA 122.551 0.34 . . . . 0.0 111.715 -173.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.771 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 18.9 m-85 -90.58 -4.61 56.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.778 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.84 18.96 6.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.535 0.734 . . . . 0.0 111.928 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.03 -162.78 0.92 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.381 1.073 . . . . 0.0 110.307 -177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -134.26 161.37 35.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.408 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 93.0 Cg_endo . . . . . 0 N--CA 1.454 -0.83 0 CA-C-O 119.985 -0.09 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.81 -53.44 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 122.275 0.23 . . . . 0.0 110.549 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 tpp -73.85 -39.63 63.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.728 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.42 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 10.3 pt -61.18 -38.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.242 0.928 . . . . 0.0 110.677 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.41 ' C ' HD23 ' B' ' 52' ' ' LEU . 5.3 tt -59.87 -51.97 67.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.6 -4.06 7.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.146 0.978 . . . . 0.0 113.024 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -108.18 -18.77 13.69 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.01 0.524 . . . . 0.0 111.027 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -101.02 -36.59 8.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.367 0.267 . . . . 0.0 110.592 -175.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -157.46 79.48 3.47 Favored Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 122.392 0.277 . . . . 0.0 110.725 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.73 179.31 5.36 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.201 2.6 . . . . 0.0 109.495 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.97 46.36 2.26 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 -173.23 2.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.506 1.122 . . . . 0.0 109.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -143.1 105.46 4.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.366 0.266 . . . . 0.0 111.462 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.453 ' CG ' HG13 ' B' ' 79' ' ' VAL . 47.0 m-85 -81.94 152.67 26.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.283 0.563 . . . . 0.0 110.801 174.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.6 111.84 6.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.964 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.27 148.28 51.01 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.942 0.497 . . . . 0.0 109.927 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 64' ' ' LEU . 1.6 mm? -129.96 158.47 39.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.586 0.755 . . . . 0.0 110.217 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -52.14 173.93 0.03 OUTLIER 'General case' 0 C--N 1.338 0.109 0 C-N-CA 127.206 2.203 . . . . 0.0 115.391 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 173.14 11.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.052 0.941 . . . . 0.0 112.591 -174.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 76.1 p -158.89 168.77 25.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.675 1.19 . . . . 0.0 108.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 -175.04 20.23 Favored Glycine 0 CA--C 1.526 0.722 0 CA-C-O 121.059 0.255 . . . . 0.0 112.536 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -124.2 20.38 8.96 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.457 1.103 . . . . 0.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.0 m 78.75 -1.99 2.35 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.179 1.792 . . . . 0.0 113.093 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -126.36 -0.59 6.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.031 0.532 . . . . 0.0 110.559 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.3 13.87 2.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.332 1.453 . . . . 0.0 109.347 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -54.26 138.97 37.62 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.588 1.155 . . . . 0.0 111.143 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.27 159.11 42.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.022 0.529 . . . . 0.0 110.066 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -141.58 173.3 11.63 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.059 1.344 . . . . 0.0 108.412 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.43 158.63 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 118.437 -1.305 . . . . 0.0 111.459 175.189 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.3 mmm -126.6 156.08 41.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.719 1.207 . . . . 0.0 107.95 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -134.86 169.78 16.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.4 t -146.54 158.25 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.07 109.66 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 137.6 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.0 11.66 1.03 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.17 0.588 . . . . 0.0 112.459 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.46 -11.08 68.99 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.776 0.703 . . . . 0.0 111.371 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.83 169.29 18.13 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.94 144.4 50.81 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -139.92 166.03 25.73 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.629 0.372 . . . . 0.0 111.451 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -147.9 162.21 39.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.511 0.724 . . . . 0.0 109.632 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 113.0 0.41 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.9 p -91.57 167.24 12.36 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.276 0.538 . . . . 0.0 111.054 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.8 171.64 44.52 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -73.39 -14.37 61.26 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -146.71 168.75 20.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.44 -26.1 67.05 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.6 -49.13 22.85 Favored 'General case' 0 C--N 1.337 0.051 0 CA-C-N 118.1 0.409 . . . . 0.0 110.661 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.23 -39.23 94.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.268 1.027 . . . . 0.0 109.192 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.71 -49.05 79.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.821 0.449 . . . . 0.0 110.616 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.49 -37.41 86.73 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 122.06 -0.4 . . . . 0.0 110.753 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.58 71.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.35 0.523 . . . . 0.0 110.727 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -75.28 -50.46 16.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.868 0.467 . . . . 0.0 110.763 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.76 81.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.655 0.382 . . . . 0.0 110.932 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.81 68.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.26 0.624 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -64.85 -35.33 80.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.1 m -68.76 -46.38 68.97 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.71 -42.11 83.1 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.784 0.433 . . . . 0.0 110.396 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.409 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.2 tt -62.62 -63.62 1.17 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.758 0.823 . . . . 0.0 109.932 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.49 8.74 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 94.0 m -99.79 -56.18 2.45 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-N 119.041 0.837 . . . . 0.0 111.366 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.14 -28.09 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 122.225 0.21 . . . . 0.0 111.529 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.0 m-30 -92.7 -4.57 52.99 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 122.144 -0.348 . . . . 0.0 111.162 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 59.21 20.48 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.532 0.733 . . . . 0.0 112.13 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 87.9 mt -123.68 -164.38 1.22 Allowed 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.633 1.173 . . . . 0.0 110.079 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -139.62 162.03 36.09 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.505 -1.236 . . . . 0.0 110.457 179.387 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' B' ' 51' ' ' ILE . 88.0 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.573 -0.203 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.38 -50.89 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.912 0.485 . . . . 0.0 110.074 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.79 -40.19 94.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.183 0.193 . . . . 0.0 111.013 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 48' ' ' PRO . 43.9 mt -55.15 -52.95 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.62 -43.11 99.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.008 0.523 . . . . 0.0 109.832 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -66.0 -4.82 7.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.477 0.711 . . . . 0.0 111.809 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -117.42 -22.35 8.24 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.481 0.312 . . . . 0.0 110.454 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.722 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.4 OUTLIER -75.6 -46.28 32.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -164.23 91.35 1.05 Allowed Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 122.758 0.423 . . . . 0.0 109.961 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.76 176.07 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.231 2.621 . . . . 0.0 110.283 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.83 51.19 0.75 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.784 -0.527 . . . . 0.0 111.784 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 -176.47 4.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 110.9 -176.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -137.37 156.42 48.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 175.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.8 m-85 -130.53 154.58 47.65 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -140.36 112.04 7.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.094 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -74.32 146.72 42.88 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.99 155.74 43.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.314 0.645 . . . . 0.0 110.27 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -56.31 172.98 0.19 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.726 1.61 . . . . 0.0 113.887 -171.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.68 169.8 15.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.264 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -153.61 176.8 11.66 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.188 0.995 . . . . 0.0 109.649 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.22 179.82 33.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.52 171.65 14.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.054 0.542 . . . . 0.0 110.768 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m -68.06 -9.35 45.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -120.87 2.17 10.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.941 0.896 . . . . 0.0 111.2 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.8 17.95 2.32 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.078 0.951 . . . . 0.0 110.243 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.488 ' HG2' ' CZ ' ' B' ' 75' ' ' PHE . 29.5 tptt -56.46 153.89 9.31 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.86 0.864 . . . . 0.0 111.207 -175.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -139.52 86.2 2.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.802 0.441 . . . . 0.0 110.883 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.488 ' CZ ' ' HG2' ' B' ' 73' ' ' LYS . 21.3 m-85 -77.73 166.06 23.43 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -144.37 157.03 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.778 175.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -141.61 133.92 28.0 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -120.51 172.49 7.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.17 166.23 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.343 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -136.98 109.57 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.22 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 122.998 0.519 . . . . 0.0 109.753 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.34 7.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.326 1.051 . . . . 0.0 113.016 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.43 33.03 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 124.0 0.81 . . . . 0.0 111.672 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.46 174.19 11.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -133.93 146.02 50.12 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.07 164.45 30.24 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.743 0.417 . . . . 0.0 110.945 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -146.49 160.52 42.01 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.162 0.585 . . . . 0.0 109.657 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.35 107.6 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.9 p -84.37 164.14 19.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.72 0.76 . . . . 0.0 110.381 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.7 168.09 40.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -70.68 -13.22 61.99 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 122.658 -0.319 . . . . 0.0 111.557 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.53 159.95 43.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.393 1.077 . . . . 0.0 109.253 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -65.71 -29.62 70.19 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -71.42 -35.4 70.95 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.373 0.533 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.4 -38.14 65.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.15 -48.82 70.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.401 0.281 . . . . 0.0 110.415 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -63.25 -39.66 95.24 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.827 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.02 85.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.241 0.473 . . . . 0.0 110.696 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.07 -52.23 30.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.906 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.35 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.657 0.383 . . . . 0.0 111.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.6 66.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.684 0.394 . . . . 0.0 110.755 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -65.93 -35.51 80.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -67.28 -43.96 80.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.99 69.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.776 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.5 tm? -69.75 -64.85 0.8 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.36 -16.1 32.07 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -173.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.4 m -96.26 -62.26 1.3 Allowed 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.66 0.664 . . . . 0.0 111.811 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.98 -30.64 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 117.982 0.355 . . . . 0.0 111.728 -173.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.722 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 12.6 m-85 -90.23 -4.76 57.0 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.723 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 59.51 18.31 6.83 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.788 0.835 . . . . 0.0 112.459 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 75.1 mt -116.72 -163.81 0.94 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.907 0.883 . . . . 0.0 110.468 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.78 170.2 13.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 109.456 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.745 -177.147 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' HD12 ' B' ' 51' ' ' ILE . 67.2 Cg_endo . . . . . 0 N--CA 1.456 -0.729 0 N-CA-C 110.525 -0.606 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.04 -52.56 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.323 1.049 . . . . 0.0 110.446 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.9 tpp -71.45 -30.65 66.28 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.399 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.4 mt -59.21 -53.85 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.48 -49.35 72.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.398 1.079 . . . . 0.0 109.409 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.74 -4.99 22.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -106.43 -27.41 10.96 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.907 0.776 . . . . 0.0 110.367 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.94 -54.35 6.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -155.87 86.21 3.19 Favored Pre-proline 0 N--CA 1.453 -0.294 0 O-C-N 123.125 0.265 . . . . 0.0 110.427 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.85 177.45 6.99 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.536 2.824 . . . . 0.0 109.975 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.53 46.65 0.78 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.02 -175.23 3.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.881 0.872 . . . . 0.0 110.574 -175.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -138.51 156.33 47.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.2 m-85 -130.63 154.45 47.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -139.91 111.93 7.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.23 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.2 147.09 45.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.14 158.56 37.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.615 0.766 . . . . 0.0 110.201 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -53.86 174.28 0.05 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 126.497 1.919 . . . . 0.0 115.357 -168.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -126.22 173.2 9.45 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.111 0.964 . . . . 0.0 112.448 -175.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -161.94 173.04 15.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.072 0.949 . . . . 0.0 109.592 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.66 172.06 36.18 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.769 0.7 . . . . 0.0 112.951 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.9 176.94 6.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.841 0.856 . . . . 0.0 110.462 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -63.04 -1.92 1.09 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -127.28 2.73 6.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.555 0.742 . . . . 0.0 111.563 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.93 11.21 2.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.916 0.886 . . . . 0.0 110.485 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -55.62 143.15 31.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.986 0.914 . . . . 0.0 111.201 -174.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -141.79 156.47 45.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 37.5 m-85 -139.64 169.56 17.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.362 1.465 . . . . 0.0 107.802 -178.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.78 157.46 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.517 -1.273 . . . . 0.0 110.711 174.018 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tpt -143.72 136.01 26.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.1 p -122.94 172.33 8.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.63 0.372 . . . . 0.0 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.52 166.38 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -137.38 110.0 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.56 127.9 65.24 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.755 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.7 t70 57.36 9.26 0.71 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.946 0.898 . . . . 0.0 112.76 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.46 -13.19 43.38 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.063 0.839 . . . . 0.0 111.698 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 173.95 11.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -133.89 145.87 50.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -141.61 163.87 31.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.713 0.405 . . . . 0.0 110.881 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -146.39 162.22 38.69 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 109.714 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.45 106.39 0.22 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.7 p -82.9 164.57 20.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 117.611 0.705 . . . . 0.0 110.183 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.32 173.0 43.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.75 -13.03 60.06 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.835 0.454 . . . . 0.0 111.563 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -150.84 167.66 26.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.717 0.807 . . . . 0.0 109.68 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -62.41 -44.81 95.55 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 123.363 0.665 . . . . 0.0 112.589 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -66.11 -34.66 78.56 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 122.38 -0.2 . . . . 0.0 111.166 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.93 -38.28 69.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.93 74.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -63.83 -37.95 89.27 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.669 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.23 83.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.414 0.552 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.46 -53.73 15.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.721 0.408 . . . . 0.0 110.661 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.16 77.64 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.567 0.347 . . . . 0.0 111.592 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.19 69.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.482 0.313 . . . . 0.0 110.502 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -62.21 -37.32 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.9 m -67.55 -45.69 74.91 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.066 0.394 . . . . 0.0 110.147 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.5 -42.78 88.43 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.496 0.319 . . . . 0.0 110.287 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.439 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.8 tt -61.12 -65.94 0.61 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.324 1.05 . . . . 0.0 109.395 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.5 -10.81 2.38 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.5 m -104.64 -55.03 2.41 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.957 0.799 . . . . 0.0 111.661 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.91 -27.31 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 118.143 0.428 . . . . 0.0 110.486 -175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.438 ' CD2' ' HG ' ' B' ' 105' ' ' LEU . 5.4 m-30 -92.72 -4.99 52.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.358 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 59.25 20.62 8.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.504 0.722 . . . . 0.0 112.602 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 77.9 mt -119.08 -165.13 1.1 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.046 0.939 . . . . 0.0 110.504 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.4 t-80 -135.81 -178.73 5.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.281 0.632 . . . . 0.0 109.874 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.379 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.419 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.7 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.505 -0.229 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.61 -51.93 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.3 mmt -69.25 -30.32 68.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 48' ' ' PRO . 45.3 mt -61.23 -54.97 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.9 -50.06 73.67 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.145 0.978 . . . . 0.0 109.439 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.46 -10.5 44.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.739 . . . . 0.0 112.816 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -105.66 -30.75 9.27 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.456 0.571 . . . . 0.0 110.759 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.9 tt -78.1 -50.79 11.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.442 -0.162 . . . . 0.0 110.771 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -153.67 80.54 5.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 178.11 5.76 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.387 2.725 . . . . 0.0 110.024 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.71 46.19 1.06 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.131 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.51 -174.5 3.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.332 1.053 . . . . 0.0 109.932 -177.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -139.21 154.06 47.97 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.456 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.5 m-85 -128.93 154.37 46.62 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -141.04 112.01 7.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -68.75 147.64 51.5 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.714 0.406 . . . . 0.0 109.944 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.07 157.5 41.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.513 0.725 . . . . 0.0 110.016 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.2 m -53.61 173.74 0.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.428 1.891 . . . . 0.0 115.114 -168.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.448 ' HB2' ' HE3' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -118.17 171.92 7.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.231 -175.238 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -149.35 170.81 17.67 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.168 0.987 . . . . 0.0 109.925 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.86 173.41 49.49 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 123.589 0.614 . . . . 0.0 112.806 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -80.46 -174.06 4.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.266 1.026 . . . . 0.0 110.42 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 26.4 p -59.97 -11.64 6.17 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.232 0.613 . . . . 0.0 111.791 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -121.78 155.95 34.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.892 1.277 . . . . 0.0 107.917 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.77 20.16 1.09 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.704 0.402 . . . . 0.0 111.72 -172.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 66' ' ' GLU . 42.3 tptt -56.03 152.62 10.11 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.493 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -141.48 153.59 45.03 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.74 0.416 . . . . 0.0 110.51 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 38.5 m-85 -142.69 172.13 13.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.772 1.629 . . . . 0.0 107.709 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.92 159.06 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.777 174.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 87.7 mmm -127.33 157.01 41.05 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 107.972 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -134.37 170.65 15.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 167.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.0 t -145.96 161.38 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.16 109.65 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.4 138.22 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.73 12.22 1.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.249 0.619 . . . . 0.0 112.459 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.29 -11.28 70.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.28 170.07 17.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -133.01 144.19 49.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.01 167.19 22.61 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.529 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -146.8 162.3 38.88 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.85 111.69 0.35 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.1 p -91.0 164.77 13.85 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 117.31 0.555 . . . . 0.0 111.026 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.95 169.44 41.84 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.95 -10.6 59.64 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.411 0.605 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.18 162.81 38.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.545 1.138 . . . . 0.0 109.31 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.03 -34.64 78.93 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.82 -44.12 78.02 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 118.135 0.425 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.13 -39.56 86.61 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.33 83.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.442 0.297 . . . . 0.0 110.966 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -66.17 -39.33 89.67 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 122.061 -0.399 . . . . 0.0 110.496 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.77 71.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.134 0.425 . . . . 0.0 110.512 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.13 -55.34 6.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.929 0.491 . . . . 0.0 110.615 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.41 79.31 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.656 0.382 . . . . 0.0 111.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.8 72.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.205 0.602 . . . . 0.0 110.388 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -65.26 -37.34 86.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.2 m -67.89 -43.66 78.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 118.243 0.474 . . . . 0.0 110.231 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.58 87.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.848 0.459 . . . . 0.0 110.137 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.3 -59.89 4.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.604 0.762 . . . . 0.0 109.467 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.16 -16.62 8.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -103.15 -55.94 2.32 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 118.589 0.631 . . . . 0.0 111.599 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.28 -29.53 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.059 0 C-N-CA 122.287 0.235 . . . . 0.0 111.188 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.0 m-30 -91.38 -8.74 47.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 122.249 -0.282 . . . . 0.0 111.139 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.26 18.12 4.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 111.288 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.32 108.86 10.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.886 1.275 . . . . 0.0 109.312 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -62.8 157.89 20.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.624 0.25 . . . . 0.0 110.601 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.668 -1.158 . . . . 0.0 110.324 179.017 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' B' ' 51' ' ' ILE . 66.3 Cg_endo . . . . . 0 N--CA 1.455 -0.786 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -52.07 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.587 0.755 . . . . 0.0 110.263 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.2 mtp -75.34 -25.05 57.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.181 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' B' ' 48' ' ' PRO . 53.5 mt -61.35 -52.61 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.27 -49.39 77.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.092 0.957 . . . . 0.0 109.7 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.81 -11.95 50.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.391 0.676 . . . . 0.0 112.703 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.32 -31.61 8.99 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.353 0.524 . . . . 0.0 110.799 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.73 -49.42 16.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -154.0 84.06 4.16 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 122.439 0.296 . . . . 0.0 110.375 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.86 178.99 5.19 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.202 2.601 . . . . 0.0 109.943 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.59 53.08 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.37 -178.01 4.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.985 0.914 . . . . 0.0 110.444 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -140.81 106.72 5.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.503 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.2 m-85 -84.76 152.5 23.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.06 111.74 7.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.901 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.28 147.98 51.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.737 0.415 . . . . 0.0 109.994 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.48 157.6 41.55 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.546 0.738 . . . . 0.0 109.925 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -53.48 174.21 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 126.696 1.999 . . . . 0.0 115.389 -168.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -124.92 170.95 10.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.929 -175.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -153.9 168.67 25.58 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.312 1.045 . . . . 0.0 109.819 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 174.37 32.65 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.203 0.43 . . . . 0.0 112.271 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.39 -173.32 3.25 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.809 0.843 . . . . 0.0 110.142 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -66.1 -3.54 5.7 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.114 -0.366 . . . . 0.0 111.238 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -127.5 160.68 30.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.895 1.278 . . . . 0.0 108.148 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.71 15.04 0.33 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.06 0.544 . . . . 0.0 112.342 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.99 155.04 17.58 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.943 0.897 . . . . 0.0 111.077 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.6 m -141.8 156.05 45.57 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.689 0.396 . . . . 0.0 110.398 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 24.8 m-85 -141.8 172.94 11.99 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.436 1.494 . . . . 0.0 107.837 -178.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.9 OUTLIER -148.24 158.71 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 118.208 -1.397 . . . . 0.0 111.687 175.187 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.6 mmm -127.69 156.72 41.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.899 1.28 . . . . 0.0 107.945 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.3 p -134.65 169.08 17.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -146.97 161.95 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.356 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -131.51 109.95 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.577 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.27 8.66 0.6 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.021 0.928 . . . . 0.0 112.868 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.32 -12.78 36.71 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.202 0.906 . . . . 0.0 111.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.07 172.74 13.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -132.87 145.34 50.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -140.82 166.17 25.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.642 0.377 . . . . 0.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.01 162.42 37.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.627 0.771 . . . . 0.0 109.385 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.37 106.08 0.21 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -86.02 164.12 17.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 117.374 0.587 . . . . 0.0 110.623 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.67 172.1 41.77 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -73.14 -14.62 61.41 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 117.088 0.444 . . . . 0.0 112.003 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -150.36 162.2 41.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.387 1.075 . . . . 0.0 108.594 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -32.41 73.58 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -67.66 -48.65 66.03 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.368 0.667 . . . . 0.0 110.426 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.4 -38.68 90.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.444 0.697 . . . . 0.0 109.837 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.15 86.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.813 0.445 . . . . 0.0 111.264 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -65.3 -36.33 83.73 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.978 -0.451 . . . . 0.0 110.714 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.46 69.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.251 0.478 . . . . 0.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -78.1 -51.31 10.47 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.738 0.415 . . . . 0.0 110.94 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.45 84.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.592 0.357 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.66 -36.45 70.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.935 0.494 . . . . 0.0 110.759 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -66.13 -36.66 83.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.3 m -67.05 -44.64 79.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.74 95.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.453 0.301 . . . . 0.0 110.429 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.422 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.7 tt -61.36 -66.9 0.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.056 0.942 . . . . 0.0 109.75 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.36 -15.94 7.75 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.6 m -97.04 -58.06 2.12 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.68 0.673 . . . . 0.0 111.127 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.06 -28.96 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 117.815 0.28 . . . . 0.0 110.89 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -92.17 -5.42 52.63 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.338 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 58.86 21.48 9.14 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.407 0.683 . . . . 0.0 112.675 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.56 -167.3 1.44 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.767 0.827 . . . . 0.0 110.674 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . 0.489 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.0 t-80 -132.75 -177.75 4.63 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.124 0.569 . . . . 0.0 110.055 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.489 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.9 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.412 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 77.1 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 111.035 -0.41 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.06 -47.94 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.553 0.341 . . . . 0.0 110.117 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.8 mmt -69.91 -45.43 67.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.7 pt -60.27 -36.02 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 CA-C-N 119.076 0.853 . . . . 0.0 110.569 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.61 -53.69 43.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.99 -10.61 6.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.467 1.507 . . . . 0.0 113.504 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.08 -18.5 11.67 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 118.76 0.709 . . . . 0.0 111.826 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -88.66 -49.8 6.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -158.53 83.18 2.64 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.715 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.21 178.93 5.45 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.448 2.765 . . . . 0.0 109.644 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.32 31.07 1.2 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 112.261 -0.335 . . . . 0.0 112.261 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 -172.72 2.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.588 0.755 . . . . 0.0 110.686 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 60' ' ' LYS . 13.1 ptpt -148.3 156.82 43.01 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' B' ' 79' ' ' VAL . 30.7 m-85 -126.68 155.15 43.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 118.243 0.474 . . . . 0.0 110.24 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -140.12 112.17 7.61 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.388 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.31 148.33 50.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.879 0.472 . . . . 0.0 110.12 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.68 157.45 42.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.621 0.768 . . . . 0.0 109.922 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -54.44 175.19 0.05 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.666 1.986 . . . . 0.0 115.475 -168.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -122.11 171.31 9.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.024 0.93 . . . . 0.0 112.511 -174.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 172.84 15.84 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.276 1.03 . . . . 0.0 110.037 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.24 175.94 50.95 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.738 0.685 . . . . 0.0 113.026 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -93.77 175.72 6.62 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.024 0.93 . . . . 0.0 110.12 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -63.19 -3.16 1.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.99 1.2 10.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.517 0.727 . . . . 0.0 111.542 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.28 14.08 1.82 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.091 0.956 . . . . 0.0 109.959 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -56.85 147.18 24.07 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.256 1.023 . . . . 0.0 111.933 -172.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -143.51 155.48 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.354 0.662 . . . . 0.0 109.472 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 34.9 m-85 -141.2 171.78 13.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.289 1.436 . . . . 0.0 108.026 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.78 158.92 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 118.386 -1.325 . . . . 0.0 111.538 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.6 mmm -126.44 156.75 40.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.726 1.21 . . . . 0.0 107.998 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 95.1 p -133.94 170.74 15.18 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' B' ' 61' ' ' TYR . 1.8 t -147.36 159.68 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -134.16 109.91 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 170.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.86 137.86 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.737 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.48 12.49 1.07 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.222 0.609 . . . . 0.0 112.453 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.8 -10.73 72.05 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -80.03 169.54 17.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -131.52 143.9 50.73 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -138.07 167.18 22.34 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 111.656 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.33 162.91 37.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.898 0.879 . . . . 0.0 109.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.86 108.44 0.26 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.5 p -89.56 163.58 15.13 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.269 0.534 . . . . 0.0 110.76 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.09 170.2 41.33 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -74.23 -10.8 59.96 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.481 0.641 . . . . 0.0 112.005 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -148.48 164.49 34.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.555 1.142 . . . . 0.0 109.681 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.42 -36.69 84.99 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.9 -46.18 79.26 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 123.125 0.57 . . . . 0.0 110.806 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.32 -39.59 85.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.18 84.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.915 0.486 . . . . 0.0 111.058 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -65.88 -39.09 90.35 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.034 -0.416 . . . . 0.0 110.443 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.98 71.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.242 0.473 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -75.14 -52.35 11.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.964 0.505 . . . . 0.0 110.854 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.62 78.7 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.8 69.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.202 0.601 . . . . 0.0 110.726 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -66.27 -37.75 86.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -67.49 -44.69 77.88 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.07 89.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.929 0.491 . . . . 0.0 110.276 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.422 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.2 tt -61.35 -64.02 1.09 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.595 0.758 . . . . 0.0 109.816 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.91 -14.0 5.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.1 m -99.29 -57.46 2.15 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 118.674 0.67 . . . . 0.0 111.013 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.98 -26.32 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 122.581 0.352 . . . . 0.0 111.476 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.8 m-30 -93.72 -4.95 49.52 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.974 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 59.22 21.24 9.35 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.686 0.795 . . . . 0.0 112.554 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.89 -167.58 1.51 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.899 0.879 . . . . 0.0 110.729 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.0 t-80 -132.45 -179.91 5.73 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.929 0.492 . . . . 0.0 110.177 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.129 -1.415 . . . . 0.0 110.431 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.8 Cg_endo . . . . . 0 N--CA 1.457 -0.658 0 N-CA-C 111.559 -0.208 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.16 -49.78 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 122.977 0.511 . . . . 0.0 109.949 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.0 tpp -67.24 -36.89 82.59 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' B' ' 48' ' ' PRO . 42.4 mt -57.07 -54.38 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.11 -48.55 75.97 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.188 0.995 . . . . 0.0 109.529 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -67.75 -9.74 46.57 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.506 0.722 . . . . 0.0 112.864 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.1 -42.97 6.5 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -70.81 -51.31 27.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.61 0.364 . . . . 0.0 111.418 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -152.26 79.83 6.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.09 177.73 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.581 2.854 . . . . 0.0 109.963 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.85 1.37 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.44 -0.409 . . . . 0.0 112.572 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -177.67 4.07 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.737 0.815 . . . . 0.0 110.568 -175.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -138.1 158.1 44.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.4 m-85 -130.68 155.41 46.64 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.87 112.44 7.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.358 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.92 148.25 50.46 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.27 157.43 41.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.73 0.812 . . . . 0.0 109.594 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -56.6 176.55 0.09 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.083 1.753 . . . . 0.0 115.133 -168.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.64 174.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.041 0.936 . . . . 0.0 112.215 -175.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 82.8 p -154.75 173.25 16.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.648 0.779 . . . . 0.0 110.103 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.84 171.42 47.75 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.501 0.572 . . . . 0.0 112.585 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.43 -172.37 3.78 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.266 1.027 . . . . 0.0 110.337 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -61.24 -9.45 5.03 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -120.79 156.8 31.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.1 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.92 19.05 0.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.474 0.31 . . . . 0.0 111.788 -173.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.2 148.55 22.0 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.138 0.975 . . . . 0.0 110.358 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.54 154.22 45.34 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 123.164 0.29 . . . . 0.0 110.526 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 25.3 m-85 -140.73 173.16 11.76 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.911 1.684 . . . . 0.0 107.128 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.75 159.39 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.897 175.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 86.2 mmm -128.31 156.34 43.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 108.137 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 92.7 p -133.5 170.44 15.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 167.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.444 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.1 t -146.51 162.67 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.44 109.13 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.57 138.0 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.1 12.39 1.26 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.154 0.582 . . . . 0.0 112.51 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.04 -11.41 70.8 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 170.21 16.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -132.52 145.12 50.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.33 168.17 20.43 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.502 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -146.39 162.06 39.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.667 0.787 . . . . 0.0 109.223 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.03 106.98 0.23 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -85.32 166.66 16.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.344 0.572 . . . . 0.0 110.49 175.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.0 172.19 44.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -69.39 -19.15 63.82 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 117.088 0.444 . . . . 0.0 112.196 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.54 174.84 12.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.798 0.839 . . . . 0.0 109.684 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -61.85 -40.16 94.36 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.835 0.854 . . . . 0.0 112.395 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.36 -49.98 50.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 122.866 0.466 . . . . 0.0 110.983 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -38.19 85.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.57 0.748 . . . . 0.0 109.965 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.59 73.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.65 0.38 . . . . 0.0 110.756 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -64.0 -35.02 79.33 Favored 'General case' 0 C--O 1.225 -0.194 0 O-C-N 122.043 -0.411 . . . . 0.0 110.526 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.45 78.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.045 0.384 . . . . 0.0 110.299 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.14 -49.22 29.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.726 0.41 . . . . 0.0 110.839 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.32 86.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.548 0.339 . . . . 0.0 110.884 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 -37.46 66.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.882 0.473 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.43 -40.06 93.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 61.4 m -68.63 -43.5 76.2 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.76 90.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.97 0.508 . . . . 0.0 110.852 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 7.9 tt -64.2 -62.38 1.65 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.676 0.39 . . . . 0.0 110.412 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.95 56.8 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -79.46 -57.49 3.67 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 118.495 0.589 . . . . 0.0 111.223 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.44 -28.67 42.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 122.549 0.339 . . . . 0.0 111.527 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.7 m-30 -94.94 0.81 55.03 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.35 -0.834 . . . . 0.0 111.002 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 13.76 1.31 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.517 1.527 . . . . 0.0 114.385 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.1 174.1 6.11 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.032 0.533 . . . . 0.0 112.074 -174.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -92.29 161.53 14.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.228 -179.726 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 90.8 Cg_endo . . . . . 0 N--CA 1.454 -0.797 0 N-CA-C 111.951 -0.057 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.36 -51.64 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -74.46 -38.28 63.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.244 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.4 pt -61.55 -35.9 69.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 C-N-CA 118.549 -1.26 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.414 ' C ' HD23 ' B' ' 52' ' ' LEU . 4.6 tt -63.35 -59.17 5.06 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -66.91 -0.34 3.02 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.81 -17.8 10.94 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.482 0.583 . . . . 0.0 110.938 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.96 -51.05 5.67 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -145.81 81.92 9.67 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.301 0.64 . . . . 0.0 110.23 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.49 176.14 8.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.259 2.639 . . . . 0.0 110.166 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.57 49.52 0.8 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -175.6 3.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.865 0.866 . . . . 0.0 110.314 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' B' ' 60' ' ' LYS . 3.4 mppt? -143.28 113.11 7.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.756 0.423 . . . . 0.0 110.339 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.494 ' CG ' HG13 ' B' ' 79' ' ' VAL . 42.8 m-85 -85.73 155.38 21.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.271 0.557 . . . . 0.0 110.891 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.06 110.42 6.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.967 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -72.42 147.09 46.49 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.4 158.1 39.24 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.447 0.699 . . . . 0.0 110.361 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -53.1 173.81 0.04 OUTLIER 'General case' 0 C--O 1.23 0.077 0 C-N-CA 126.815 2.046 . . . . 0.0 115.393 -168.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.24 173.9 10.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.26 1.024 . . . . 0.0 112.634 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -159.71 167.03 29.3 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.856 1.263 . . . . 0.0 108.618 175.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.56 -172.01 23.23 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 121.168 0.316 . . . . 0.0 112.857 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.34 21.17 5.68 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.603 1.161 . . . . 0.0 111.609 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.6 m 76.09 -1.67 2.9 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.045 1.738 . . . . 0.0 113.107 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -127.51 0.02 6.23 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.652 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.43 14.99 2.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.044 1.337 . . . . 0.0 109.637 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -56.86 142.16 42.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.589 1.156 . . . . 0.0 111.578 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.0 m -142.02 159.32 42.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.375 0.67 . . . . 0.0 109.781 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -141.16 170.83 15.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 125.015 1.326 . . . . 0.0 108.465 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.26 156.86 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 118.445 -1.302 . . . . 0.0 110.79 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -142.21 133.54 26.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -123.85 173.07 8.42 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.494 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.29 160.68 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.866 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.49 111.02 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.81 138.7 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.67 11.73 0.96 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.27 -10.9 71.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -80.01 170.03 17.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -132.09 144.93 51.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.33 163.63 32.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.001 0.52 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -146.04 162.49 37.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.962 0.505 . . . . 0.0 109.923 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.81 103.3 0.18 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.8 p -81.27 163.87 22.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.493 0.646 . . . . 0.0 110.15 175.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.84 174.33 43.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.12 -15.53 61.48 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.974 0.51 . . . . 0.0 111.916 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -155.21 167.81 29.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.273 1.029 . . . . 0.0 109.563 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -63.12 -40.97 99.17 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.29 0.636 . . . . 0.0 112.109 -175.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -62.81 -39.16 93.4 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.289 0.635 . . . . 0.0 110.346 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.67 -39.75 57.08 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.546 0.739 . . . . 0.0 110.617 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -49.59 74.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -63.67 -37.82 88.8 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 119.314 -0.375 . . . . 0.0 111.064 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.87 71.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.405 0.548 . . . . 0.0 110.953 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -75.64 -51.0 13.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.833 0.453 . . . . 0.0 110.777 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.771 0.429 . . . . 0.0 111.442 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.36 -33.19 69.34 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.569 0.348 . . . . 0.0 110.701 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -66.43 -38.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -68.63 -43.66 75.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.071 0.548 . . . . 0.0 110.594 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -57.97 10.16 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.392 0.677 . . . . 0.0 110.032 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.68 42.94 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -92.65 -56.68 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.374 0.534 . . . . 0.0 111.476 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.91 -28.88 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.45 0.3 . . . . 0.0 111.717 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -95.68 -0.79 51.2 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.379 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 51.67 17.18 0.55 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.809 1.243 . . . . 0.0 112.785 -173.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 47.6 mt -130.18 107.14 9.08 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.765 1.226 . . . . 0.0 109.643 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.26 158.09 14.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.609 0.242 . . . . 0.0 110.805 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.634 179.402 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' B' ' 51' ' ' ILE . 72.7 Cg_endo . . . . . 0 N--CA 1.454 -0.812 0 N-CA-C 111.224 -0.337 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.53 -50.63 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.478 0.711 . . . . 0.0 110.009 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.81 -36.1 77.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.766 -0.159 . . . . 0.0 111.425 -176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 48' ' ' PRO . 46.4 mt -56.12 -53.99 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.06 -50.48 73.3 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.595 0.758 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -67.1 -5.7 14.4 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.71 0.804 . . . . 0.0 112.951 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.0 -32.92 6.43 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.619 0.645 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 tt -74.25 -59.65 2.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -145.51 83.08 9.19 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 122.913 0.485 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.68 177.2 7.16 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.085 2.523 . . . . 0.0 109.968 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.18 50.66 0.53 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.98 -177.09 4.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.803 0.841 . . . . 0.0 110.564 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 50.5 mtmt -143.11 110.02 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.491 ' CG ' HG13 ' B' ' 79' ' ' VAL . 48.1 m-85 -84.18 156.06 22.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 121.621 0.724 . . . . 0.0 111.275 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -140.64 119.08 12.2 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.747 1.219 . . . . 0.0 108.617 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.541 ' C ' HD22 ' B' ' 64' ' ' LEU . 66.8 t80 -82.89 139.53 33.38 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.541 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.7 mm? -120.78 159.21 25.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.501 0.72 . . . . 0.0 109.756 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.15 173.71 0.07 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -167.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 174.29 6.91 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.857 0.863 . . . . 0.0 112.319 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -158.66 174.82 14.46 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.301 1.04 . . . . 0.0 109.325 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -177.6 46.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.013 0.34 . . . . 0.0 112.662 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.62 179.98 3.9 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.749 1.219 . . . . 0.0 109.783 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.1 m -60.01 3.31 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -129.49 -0.33 4.99 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 111.746 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.52 11.44 0.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.358 0.663 . . . . 0.0 111.033 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -54.97 143.78 25.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.712 0.805 . . . . 0.0 111.652 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 p -142.83 155.25 44.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.499 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -139.12 161.71 36.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -134.88 153.89 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 117.954 -1.499 . . . . 0.0 110.426 177.24 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -138.57 134.28 33.62 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -130.82 169.63 15.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -174.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.7 OUTLIER -146.82 161.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.376 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.61 112.83 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 169.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -137.26 138.85 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.91 11.84 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.34 70.02 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -79.25 170.35 16.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -131.45 145.68 51.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 110.222 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -140.92 162.75 34.72 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.514 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -147.17 159.89 43.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.055 0.942 . . . . 0.0 108.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.12 100.72 0.16 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 43.0 t -78.69 160.02 27.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.477 0.639 . . . . 0.0 110.277 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.12 174.26 41.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.36 -15.83 61.36 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -153.82 170.97 19.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 109.801 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.93 -47.95 83.7 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 123.011 0.524 . . . . 0.0 111.959 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.89 -43.17 99.39 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 122.505 0.322 . . . . 0.0 111.295 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.07 -38.84 86.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.668 0.387 . . . . 0.0 110.135 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.36 76.39 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -63.75 -38.86 92.7 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 122.185 -0.322 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.87 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.326 0.512 . . . . 0.0 110.818 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -74.37 -54.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.968 0.507 . . . . 0.0 110.639 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.21 75.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.533 0.333 . . . . 0.0 111.73 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.48 68.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.495 0.318 . . . . 0.0 110.245 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -64.39 -36.07 82.96 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 65.0 m -70.22 -44.51 68.46 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.61 88.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.017 0.527 . . . . 0.0 110.146 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.48 -59.35 5.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.871 0.868 . . . . 0.0 109.396 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.15 -17.83 12.61 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.4 m -100.78 -57.77 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.423 0.556 . . . . 0.0 111.653 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -66.53 -30.91 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 122.573 0.349 . . . . 0.0 111.506 -174.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -89.68 -8.7 51.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.956 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.21 19.1 4.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.454 0.701 . . . . 0.0 111.288 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.2 mt -131.32 108.85 9.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.84 1.256 . . . . 0.0 109.261 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -62.69 158.19 19.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.555 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.498 178.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.427 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.2 Cg_endo . . . . . 0 N--CA 1.454 -0.818 0 N-CA-C 112.979 0.338 . . . . 0.0 112.979 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.01 -46.0 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 118.455 0.57 . . . . 0.0 109.99 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.1 tpp -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.7 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.6 pt -62.71 -37.91 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.626 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.24 -50.43 73.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.74 -10.28 12.21 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.903 1.281 . . . . 0.0 112.659 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.61 -13.19 14.86 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.832 0.742 . . . . 0.0 111.668 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.1 tt -104.93 -38.82 6.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.596 0.18 . . . . 0.0 110.892 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -157.15 80.31 3.45 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 122.26 0.224 . . . . 0.0 110.809 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.13 178.29 6.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.147 2.565 . . . . 0.0 109.284 173.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 40.83 2.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.22 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.48 -176.91 3.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.323 1.049 . . . . 0.0 110.092 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.21 155.08 49.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.461 ' CG ' HG13 ' B' ' 79' ' ' VAL . 34.4 m-85 -128.69 154.08 46.67 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -139.74 114.27 9.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.229 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.99 148.03 50.72 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.869 0.467 . . . . 0.0 110.165 175.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.44 161.23 30.85 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.798 0.839 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -49.59 172.54 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.377 2.271 . . . . 0.0 116.237 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.452 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 11.5 pt-20 -130.57 159.24 37.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 110.804 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 61.8 m -155.18 170.36 22.02 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.572 0.749 . . . . 0.0 110.448 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.41 37.26 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.892 0.758 . . . . 0.0 112.572 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -87.65 175.25 7.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.304 0.642 . . . . 0.0 110.073 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -62.72 -3.17 1.39 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -123.59 3.65 8.96 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.766 0.826 . . . . 0.0 111.197 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.86 11.85 1.83 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.133 0.973 . . . . 0.0 110.436 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -57.0 147.85 22.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.683 1.193 . . . . 0.0 111.69 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -146.02 161.3 40.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.097 0.559 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 32.8 m-85 -146.05 171.53 14.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.783 1.233 . . . . 0.0 108.272 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -147.56 160.14 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.332 175.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.2 mmm -128.99 158.63 38.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.732 1.213 . . . . 0.0 108.107 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -135.29 170.89 15.24 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.6 t -147.32 166.23 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.94 109.13 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.95 126.02 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.934 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 57.78 8.92 0.76 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.206 1.002 . . . . 0.0 112.896 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.1 -13.16 34.12 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.135 0.874 . . . . 0.0 111.819 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.9 173.55 12.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -133.81 145.94 50.21 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -141.41 167.59 21.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.581 0.352 . . . . 0.0 111.656 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.92 161.23 42.29 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.291 0.637 . . . . 0.0 109.919 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.75 120.06 0.74 Allowed Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 92.4 p -92.48 170.26 9.9 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 117.009 0.405 . . . . 0.0 110.902 177.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.37 172.08 43.36 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.56 -14.74 60.83 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 122.544 -0.386 . . . . 0.0 111.03 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -147.78 165.24 31.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.127 0.971 . . . . 0.0 109.449 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.85 -38.72 89.27 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -69.27 -39.17 78.56 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-O 120.671 0.272 . . . . 0.0 110.888 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.98 -37.2 69.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.267 0.627 . . . . 0.0 110.002 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.23 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.751 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -64.23 -33.24 75.36 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 122.151 -0.343 . . . . 0.0 110.207 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.18 80.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.168 0.44 . . . . 0.0 110.988 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -71.28 -53.78 13.1 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.441 0.564 . . . . 0.0 110.516 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.07 79.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.314 0.246 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.04 63.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.126 0.57 . . . . 0.0 110.726 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -66.53 -36.22 82.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.152 -0.342 . . . . 0.0 110.25 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -66.58 -45.1 80.36 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.9 89.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.35 0.26 . . . . 0.0 110.452 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.429 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.1 tt -63.87 -68.05 0.38 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.535 0.734 . . . . 0.0 109.854 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.42 -16.2 8.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -93.83 -60.25 1.8 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.724 0.693 . . . . 0.0 111.002 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.18 -28.29 43.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 O-C-N 122.3 -0.25 . . . . 0.0 111.21 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.9 m-30 -91.35 -0.32 57.63 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.521 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 54.9 14.13 0.86 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.745 1.218 . . . . 0.0 113.775 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 mt -118.5 -165.43 1.12 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.577 1.151 . . . . 0.0 110.418 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -136.96 162.07 34.28 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.307 -1.33 . . . . 0.0 110.503 179.842 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.426 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 71.7 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.78 -44.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.37 -50.41 59.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.889 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.1 pt -57.07 -40.67 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 118.984 0.811 . . . . 0.0 110.68 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.72 -52.72 63.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.03 -4.83 3.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.486 1.115 . . . . 0.0 112.809 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.37 -13.88 13.84 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.929 0.492 . . . . 0.0 111.008 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -107.3 -34.75 7.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.565 0.346 . . . . 0.0 111.296 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -154.07 71.47 6.4 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 122.687 0.395 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.24 178.89 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.142 2.561 . . . . 0.0 109.406 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.35 54.78 2.48 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -174.92 3.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.85 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -140.52 101.77 4.18 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.482 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . 0.454 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.6 m-85 -81.85 151.32 27.39 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.202 0.525 . . . . 0.0 110.411 174.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -138.88 111.71 7.78 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.591 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.16 148.69 50.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.826 0.45 . . . . 0.0 109.957 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -128.65 156.11 43.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.052 0.941 . . . . 0.0 109.185 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -54.28 161.11 1.43 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -167.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 7.8 pt-20 -81.65 173.03 12.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.053 1.341 . . . . 0.0 112.119 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -158.26 170.4 22.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.689 0.795 . . . . 0.0 110.037 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.94 176.85 38.45 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.472 1.034 . . . . 0.0 113.487 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -81.17 172.5 13.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.134 0.974 . . . . 0.0 110.257 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -66.32 -28.98 69.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -81.78 -6.39 59.02 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.48 22.28 1.66 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.003 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -51.44 141.11 16.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.013 0.925 . . . . 0.0 111.532 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -137.04 161.95 34.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.228 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.1 m-85 -146.45 175.26 10.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.935 1.294 . . . . 0.0 108.157 -176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -146.91 159.42 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.176 176.472 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.0 mmm -129.26 156.79 43.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.492 1.117 . . . . 0.0 108.091 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -133.8 168.6 18.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.454 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.65 162.25 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.133 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.91 110.13 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 170.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.9 t -126.81 120.19 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.207 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.89 5.08 0.46 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.606 1.163 . . . . 0.0 112.998 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.13 11.95 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.451 1.024 . . . . 0.0 112.113 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.446 HE21 HG22 ' B' ' 108' ' ' VAL . 4.0 mp0 -76.59 171.04 15.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 117.619 0.71 . . . . 0.0 109.32 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.1 143.88 49.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -140.5 167.12 22.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.766 0.317 . . . . 0.0 111.668 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.77 161.5 39.79 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.881 0.872 . . . . 0.0 109.177 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.18 107.45 0.23 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.4 p -83.42 167.73 17.22 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.378 0.589 . . . . 0.0 110.507 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.38 171.53 44.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.48 -11.56 60.5 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -140.49 164.45 30.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -67.63 -28.66 67.92 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.794 173.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.39 -49.25 35.28 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.378 1.071 . . . . 0.0 110.044 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.72 -41.05 98.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.077 0.951 . . . . 0.0 109.605 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.55 93.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.626 0.37 . . . . 0.0 110.773 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -64.47 -34.84 79.14 Favored 'General case' 0 C--O 1.225 -0.234 0 O-C-N 122.155 -0.341 . . . . 0.0 110.534 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.64 -32.24 73.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.402 0.547 . . . . 0.0 110.506 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.63 -50.15 18.88 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.404 0.281 . . . . 0.0 110.96 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.85 81.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.96 70.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.577 0.351 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -62.66 -36.2 82.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.6 m -69.25 -44.73 71.34 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.64 80.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 110.79 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . 0.424 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.3 tt -64.35 -68.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 109.704 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.6 -48.77 28.13 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.5 m -65.98 -61.86 1.81 Allowed 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.06 0.391 . . . . 0.0 111.76 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.446 HG22 HE21 ' B' ' 84' ' ' GLN . 25.5 t -68.38 -24.76 29.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.6 m-30 -92.48 -3.98 54.34 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.111 -0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 59.11 25.88 14.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.636 0.775 . . . . 0.0 111.892 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.44 -168.62 1.91 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.205 1.002 . . . . 0.0 110.749 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' HIS . . . . . 0.452 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 36.9 t-80 -134.37 -179.97 5.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.511 0.724 . . . . 0.0 109.571 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' LEU . . . . . 0.452 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.426 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo . . . . . 0 N--CA 1.478 0.585 0 CA-C-O 119.954 -0.102 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -72.11 -9.05 57.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.1 171.3 13.64 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -144.24 9.96 1.47 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.255 1.022 . . . . 0.0 111.691 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.448 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 25.8 p30 -133.91 164.84 41.13 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 122.766 0.426 . . . . 0.0 112.084 -171.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.459 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.7 Cg_endo -72.3 -11.57 26.86 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.683 2.922 . . . . 0.0 111.588 174.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.62 -50.69 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.07 0.548 . . . . 0.0 110.233 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.95 -36.4 83.25 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.305 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.6 mt -57.57 -54.63 28.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.72 -51.03 70.39 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.184 0.994 . . . . 0.0 109.696 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -65.4 -9.67 27.15 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.504 0.722 . . . . 0.0 112.747 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -107.05 -33.28 7.52 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.286 0.494 . . . . 0.0 110.841 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.0 tt -73.3 -50.84 19.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -153.46 84.84 4.23 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.744 -0.207 . . . . 0.0 110.573 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.46 177.81 6.32 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.139 2.559 . . . . 0.0 109.573 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.34 35.1 1.66 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.73 -178.36 4.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.88 0.872 . . . . 0.0 110.586 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -137.31 157.23 47.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.463 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 35.8 m-85 -130.36 154.09 48.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -138.93 110.92 7.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.225 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -71.79 146.26 48.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.47 158.31 37.72 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.655 0.782 . . . . 0.0 109.913 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -53.57 173.74 0.05 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.413 1.885 . . . . 0.0 115.366 -168.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -117.31 170.48 8.67 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.16 0.984 . . . . 0.0 112.215 -175.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -151.02 172.25 16.02 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.092 0.957 . . . . 0.0 110.296 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.44 174.46 46.09 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 123.861 0.743 . . . . 0.0 113.026 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -81.99 173.66 11.99 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 -14.37 60.63 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -106.24 -0.3 24.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.991 0.516 . . . . 0.0 111.782 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.05 18.87 2.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.285 1.034 . . . . 0.0 109.616 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -56.57 152.45 11.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.443 1.097 . . . . 0.0 112.225 -171.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.2 p -144.84 158.37 43.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.585 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 41.0 m-85 -144.01 170.56 15.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.793 1.237 . . . . 0.0 108.358 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.2 OUTLIER -144.12 157.5 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 118.768 -1.173 . . . . 0.0 110.476 172.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpt -143.93 133.55 23.6 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 86.1 p -120.97 173.17 7.42 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.92 165.63 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.503 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -137.0 110.49 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 171.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -129.91 128.41 65.02 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 57.45 9.53 0.78 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.857 0.863 . . . . 0.0 112.75 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.53 -12.6 47.13 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.155 0.884 . . . . 0.0 111.667 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.2 174.17 11.84 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -134.19 145.86 49.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -142.21 164.38 30.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.774 0.43 . . . . 0.0 110.739 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -145.78 162.39 37.76 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.867 0.467 . . . . 0.0 109.833 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.18 111.27 0.36 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 76.3 p -86.15 171.98 10.91 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.315 0.557 . . . . 0.0 110.384 175.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -178.16 171.28 43.68 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -71.87 -17.69 62.1 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -147.69 171.05 16.26 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.983 0.513 . . . . 0.0 109.685 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.27 -36.52 83.95 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -68.46 -41.03 80.77 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 118.077 0.399 . . . . 0.0 110.474 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -40.35 94.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.846 0.859 . . . . 0.0 109.704 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.54 -54.26 48.65 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.37 0.268 . . . . 0.0 110.691 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -62.57 -33.39 74.86 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.94 89.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.485 0.584 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -69.48 -49.17 57.27 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.529 0.332 . . . . 0.0 110.703 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.73 84.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.021 0.529 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.64 -36.17 73.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 122.112 0.165 . . . . 0.0 110.587 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -62.57 -39.21 92.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -67.0 -45.28 78.04 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.36 90.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.475 0.31 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.435 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.1 tt -63.04 -66.58 0.52 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.693 0.797 . . . . 0.0 109.433 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.14 60.38 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -71.72 -59.62 2.66 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.959 -0.463 . . . . 0.0 111.891 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.06 -30.31 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 117.833 0.288 . . . . 0.0 111.62 -174.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -88.64 -5.53 58.08 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 119.336 -0.364 . . . . 0.0 111.071 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.01 23.22 9.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.547 0.739 . . . . 0.0 112.218 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.34 -164.28 1.31 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.601 1.16 . . . . 0.0 109.963 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -137.95 162.09 34.97 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.342 -1.313 . . . . 0.0 110.467 179.399 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.303 -3.397 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.914 3.714 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.248 -3.452 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 98.945 -3.755 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.18 -3.52 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.19 -3.51 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.389 -3.311 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 111.239 3.039 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.541 -3.159 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.794 -2.906 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.573 -3.127 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C4'-C3'-C2' 99.086 -3.614 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.454 -3.246 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 110.928 2.728 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.776 -2.924 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.654 -3.046 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.367 -3.333 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.272 -3.428 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 112.095 3.895 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.06 -3.64 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 C5'-C4'-C3' 108.274 -4.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 O4'-C1'-N19 111.115 2.915 . 0.296 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C5'-C4'-C3' 110.022 -3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C5'-C4'-C3' 110.231 -3.513 . 0.638 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.642 -3.058 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.37 -3.33 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.004 -3.696 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 0 C4'-C3'-C2' 99.309 -3.391 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 98.894 -3.806 . 0.487 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.411 " H2'" ' C8 ' ' A' ' 31' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 98.903 -3.797 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . 0.411 ' C8 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.859 -2.841 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.114 -3.586 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.276 -3.424 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.176 -3.524 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C4'-C3'-C2' 99.196 -3.504 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 O4'-C1'-N19 111.908 3.708 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-N19 111.514 3.314 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.062 -3.638 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 98.998 -3.702 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 98.833 -3.867 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.401 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.676 1 C4'-C3'-C2' 98.408 -4.292 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.401 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 112.009 3.809 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.546 ' N ' HO2' ' A' ' 14' ' ' ' G' . 51.6 Cg_exo . . . . . 0 N--CA 1.473 0.299 0 N-CA-C 112.499 0.153 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -139.46 -179.73 6.07 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.67 0.788 . . . . 0.0 109.962 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.16 172.84 14.54 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -129.98 -2.21 4.63 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.415 1.086 . . . . 0.0 109.919 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.419 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 29.1 p30 -62.09 163.08 14.61 Favored Pre-proline 0 CA--C 1.536 0.409 0 C-N-CA 124.255 1.022 . . . . 0.0 110.502 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.44 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 72.9 Cg_endo -72.42 -9.55 24.33 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.154 2.569 . . . . 0.0 111.386 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.46 -52.09 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 122.893 0.477 . . . . 0.0 110.651 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -70.97 -44.89 65.07 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.15 -38.27 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.293 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.414 ' C ' HD23 ' B' ' 52' ' ' LEU . 3.8 tt -61.61 -56.65 17.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -65.64 -0.7 2.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.893 0.877 . . . . 0.0 112.968 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -117.76 -9.68 10.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.31 0.505 . . . . 0.0 111.599 176.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -102.89 -42.73 5.74 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 117.979 0.354 . . . . 0.0 110.239 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.7 79.21 8.76 Favored Pre-proline 0 N--CA 1.455 -0.194 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.07 -177.7 3.67 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.92 3.08 . . . . 0.0 109.702 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.55 28.57 5.96 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.066 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.7 -171.79 2.04 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.58 0.752 . . . . 0.0 110.111 -174.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.472 ' HB3' ' HE2' ' B' ' 60' ' ' LYS . 11.1 ptpt -150.43 151.53 32.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.492 ' CG ' HG13 ' B' ' 79' ' ' VAL . 30.3 m-85 -121.24 157.76 29.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.348 0.594 . . . . 0.0 110.055 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -130.06 156.84 43.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.594 174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.542 ' C ' HD22 ' B' ' 64' ' ' LEU . 19.1 t80 -116.83 127.11 53.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 175.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.542 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.5 mm? -115.13 161.66 18.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.447 -173.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -51.12 166.28 0.1 Allowed 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 -165.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.53 170.0 8.9 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.976 0.911 . . . . 0.0 112.144 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -152.96 172.59 16.58 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.901 0.88 . . . . 0.0 110.431 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.62 174.34 49.2 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 123.976 0.798 . . . . 0.0 113.015 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.83 171.73 12.01 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.507 0.723 . . . . 0.0 109.893 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.5 m -62.21 -31.06 71.55 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -83.84 -4.64 58.83 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.78 19.57 1.82 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.502 0.721 . . . . 0.0 110.462 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -55.1 151.51 9.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.108 0.963 . . . . 0.0 111.756 -172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.9 m -142.21 159.2 42.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.242 0.617 . . . . 0.0 109.821 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -144.64 174.6 10.83 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.755 1.222 . . . . 0.0 108.508 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.17 154.73 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 118.803 -1.159 . . . . 0.0 110.747 172.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.5 mmm -121.84 155.5 35.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 87' ' ' GLU . 59.1 m -136.88 170.36 16.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 172.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.492 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.2 t -148.34 163.42 5.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 O-C-N 121.965 -0.459 . . . . 0.0 110.025 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 64.0 t -134.72 112.13 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.31 129.29 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.645 -174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 22.2 t70 57.71 7.36 0.55 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.768 0.827 . . . . 0.0 112.453 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.18 -11.4 44.13 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.625 1.107 . . . . 0.0 111.918 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -78.41 171.15 15.51 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -131.78 142.53 49.77 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.94 164.99 28.52 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.785 0.434 . . . . 0.0 110.804 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HA ' ' B' ' 78' ' ' SER . 35.4 tt0 -148.8 159.92 43.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.434 1.094 . . . . 0.0 108.089 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.83 109.53 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -83.3 167.04 17.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.026 0.413 . . . . 0.0 111.488 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.94 171.97 44.45 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -71.92 -18.29 62.03 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 117.379 0.589 . . . . 0.0 111.436 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -147.54 169.0 20.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.693 0.797 . . . . 0.0 109.373 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -67.11 -25.52 66.25 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -72.38 -49.19 35.82 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.125 0.57 . . . . 0.0 109.642 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -67.0 -39.25 87.08 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.883 1.273 . . . . 0.0 109.952 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.22 78.49 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.696 0.398 . . . . 0.0 110.872 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -63.47 -34.88 78.75 Favored 'General case' 0 C--N 1.34 0.193 0 O-C-N 121.95 -0.469 . . . . 0.0 110.704 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.8 70.19 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.239 0.472 . . . . 0.0 110.64 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.99 -47.79 17.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.343 0.257 . . . . 0.0 110.951 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.92 84.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.529 0.332 . . . . 0.0 110.517 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.46 -37.41 68.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 122.859 0.464 . . . . 0.0 110.756 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -63.66 -38.92 92.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -66.39 -45.78 78.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.52 83.51 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.331 0.252 . . . . 0.0 111.11 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.431 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.3 tt -66.03 -66.89 0.49 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.261 0.624 . . . . 0.0 109.575 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.24 -43.42 52.96 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -70.96 -58.86 3.17 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.021 -0.424 . . . . 0.0 111.801 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.42 -28.7 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.712 0.233 . . . . 0.0 111.385 -174.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.4 m-30 -92.22 -4.77 53.64 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.949 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.68 24.49 12.22 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.471 0.708 . . . . 0.0 111.98 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.44 -168.31 1.82 Allowed 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.108 0.963 . . . . 0.0 110.759 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . 0.48 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -131.95 -178.78 5.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 0.0 110.094 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.48 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.094 -1.431 . . . . 0.0 110.402 -177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.446 -3.254 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.898 3.698 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C4'-C3'-C2' 99.261 -3.439 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.059 -3.641 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.708 0 C4'-C3'-C2' 99.081 -3.619 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.128 -3.572 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 98.961 -3.739 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.53 -3.17 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.267 -3.433 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.757 -2.943 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.951 -2.749 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 98.916 -3.784 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.27 -3.43 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.546 HO2' ' N ' ' B' ' 43' ' ' PRO . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.454 -3.246 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.568 -3.132 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.202 -3.498 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.967 -3.733 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.346 -3.354 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 112.062 3.862 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.293 -3.407 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 100.119 -2.581 . 0.485 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 O4'-C1'-N19 110.83 2.63 . 0.489 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C5'-C4'-C3' 111.73 -2.514 . 0.829 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C5'-C4'-C3' 110.449 -3.367 . 0.703 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.508 -3.192 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.756 -2.944 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 112.267 4.067 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 99.153 -3.547 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.951 -3.749 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 111.757 3.557 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.386 -3.314 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.953 -3.747 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.246 -3.454 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.352 -3.348 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.257 -3.443 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.227 -3.473 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 111.577 3.377 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 98.838 -3.862 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.753 3.553 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 98.786 -3.914 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.404 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.657 1 C4'-C3'-C2' 98.299 -4.401 . 0.809 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.404 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 O4'-C1'-N19 112.093 3.893 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.478 0.579 0 CA-C-O 120.121 -0.033 . . . . 0.0 112.082 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t 53.48 16.41 0.9 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.019 0.928 . . . . 0.0 113.311 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.37 -5.2 27.51 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 121.674 -0.641 . . . . 0.0 112.991 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -72.3 -4.53 30.24 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.718 0.759 . . . . 0.0 111.807 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -60.29 153.22 59.78 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 122.602 0.361 . . . . 0.0 110.455 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' B' ' 51' ' ' ILE . 82.2 Cg_endo -75.83 -13.77 19.62 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.281 2.654 . . . . 0.0 112.128 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.27 -50.74 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 122.432 0.293 . . . . 0.0 110.417 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 55.2 tpp -69.85 -32.24 70.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 119.528 -0.272 . . . . 0.0 111.342 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 48' ' ' PRO . 47.3 mt -58.3 -53.49 45.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 tt -55.87 -49.66 72.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.22 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -70.7 -2.04 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -110.61 -26.47 9.43 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 119.141 0.882 . . . . 0.0 110.279 173.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' B' ' 109' ' ' PHE . 1.3 tt -82.35 -58.02 3.11 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 mmt85 -145.42 81.48 10.24 Favored Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 123.195 0.598 . . . . 0.0 110.779 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.39 179.34 5.16 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.238 2.625 . . . . 0.0 110.021 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.9 54.63 0.8 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.93 -174.87 3.6 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.26 1.024 . . . . 0.0 110.369 -176.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.2 mtmt -143.74 109.07 5.05 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.835 0.454 . . . . 0.0 111.12 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.478 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -86.01 152.95 22.5 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 121.202 0.525 . . . . 0.0 111.165 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -141.13 113.99 8.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.335 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -68.85 148.42 50.28 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.06 0.544 . . . . 0.0 110.254 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.32 160.33 34.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.892 0.877 . . . . 0.0 110.045 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.7 m -53.09 175.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.979 2.111 . . . . 0.0 115.573 -168.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.421 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -113.64 172.39 7.0 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.226 1.01 . . . . 0.0 112.497 -174.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 59.7 m -154.33 174.38 14.91 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.617 1.167 . . . . 0.0 110.063 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.41 176.06 44.11 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.751 0.691 . . . . 0.0 113.267 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.44 171.04 12.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.451 0.7 . . . . 0.0 109.965 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.1 m -63.31 -28.9 70.32 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -84.83 -7.61 59.12 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.28 22.24 2.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.824 0.849 . . . . 0.0 110.078 -177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tptt -55.11 153.79 6.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.295 1.038 . . . . 0.0 111.632 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 77.9 p -141.39 159.65 41.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.203 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 30.6 m-85 -145.19 173.19 12.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.923 1.289 . . . . 0.0 107.714 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.3 OUTLIER -147.01 159.08 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 118.52 -1.272 . . . . 0.0 111.202 176.103 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.3 mmm -127.46 155.91 42.96 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 91.6 p -132.98 169.23 17.11 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 168.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.478 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.2 160.38 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.939 179.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 68.7 t -132.48 109.76 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -133.57 137.53 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.06 10.97 0.89 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.07 0.548 . . . . 0.0 112.433 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.86 -11.23 68.1 Favored Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.802 0.715 . . . . 0.0 111.406 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.51 169.27 18.29 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -132.09 144.45 50.74 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -140.0 167.26 22.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.824 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -147.04 161.98 39.72 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.909 0.883 . . . . 0.0 109.351 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.63 113.46 0.42 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 77.4 p -86.7 170.59 11.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 117.198 0.499 . . . . 0.0 110.98 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.43 172.55 44.11 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -70.58 -22.91 62.52 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-N 117.206 0.503 . . . . 0.0 111.522 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -143.33 168.21 20.33 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.99 0.916 . . . . 0.0 108.787 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -63.9 -30.13 71.25 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -77.23 -40.15 45.94 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 118.175 0.443 . . . . 0.0 110.624 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.96 -39.24 87.2 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.599 0.76 . . . . 0.0 109.052 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.56 92.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.834 0.454 . . . . 0.0 110.83 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 24.7 tttp -64.11 -35.02 79.38 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 122.091 -0.381 . . . . 0.0 110.624 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.37 72.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.311 0.505 . . . . 0.0 110.448 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -74.01 -53.2 10.55 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.389 0.276 . . . . 0.0 110.658 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.99 85.45 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.981 0.512 . . . . 0.0 111.117 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -35.52 70.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.645 0.378 . . . . 0.0 110.794 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -65.95 -38.5 88.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.041 -0.412 . . . . 0.0 110.058 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -66.01 -43.68 86.99 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 118.094 0.406 . . . . 0.0 110.092 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.28 92.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 122.768 0.427 . . . . 0.0 110.414 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.41 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.9 tt -60.71 -65.19 0.73 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.941 0.896 . . . . 0.0 109.9 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.39 -19.15 21.46 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 88.8 m -93.76 -58.38 2.28 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-N 118.731 0.696 . . . . 0.0 111.064 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.49 -27.51 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 122.804 0.442 . . . . 0.0 111.152 -175.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.441 ' CD2' HD13 ' B' ' 55' ' ' LEU . 3.7 m-30 -94.89 -5.68 44.38 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.214 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 58.81 21.95 9.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.554 0.742 . . . . 0.0 112.433 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.59 -167.7 1.57 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.899 0.88 . . . . 0.0 110.803 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . 0.499 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 32.1 t-80 -130.37 -178.03 4.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.382 0.673 . . . . 0.0 110.135 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.499 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 24.8 tp . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.085 -1.436 . . . . 0.0 110.404 -177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 112.054 3.854 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.297 -3.403 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.028 -3.672 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.0 -3.7 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.43 -3.27 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.08 -3.62 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.425 -3.275 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.574 -3.126 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 N19-C1'-C2' 109.107 -2.683 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.477 -3.223 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.065 -3.635 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.271 -3.429 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.475 -3.225 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C5'-C4'-O4' 112.921 2.658 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-C3' 109.26 -4.16 . 0.447 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.415 -3.285 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.941 -3.759 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 98.902 -3.798 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.528 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-O3' 118.078 2.876 OUTLIER-EPSILON 0.439 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.453 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.73 1 P-O3'-C3' 125.508 4.84 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.528 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 112.387 4.187 . 0.37 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 C5'-C4'-C3' 111.554 -2.631 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 111.145 -2.903 . 0.08 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.618 -3.082 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.821 -2.879 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 O4'-C1'-N19 112.089 3.889 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.12 -3.58 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.499 -3.201 . 0.331 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 99.549 -3.151 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.574 -3.126 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.183 -3.517 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.322 -3.378 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.159 -3.541 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.199 -3.501 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 111.859 3.659 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.417 -3.283 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.05 -3.65 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.017 -3.683 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 98.954 -3.746 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.404 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.683 1 C4'-C3'-C2' 98.401 -4.299 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.404 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 112.054 3.854 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo . . . . . 0 N--CA 1.47 0.122 0 CA-C-O 120.291 0.038 . . . . 0.0 112.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.0 p -69.38 -7.24 35.71 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 122.964 0.505 . . . . 0.0 112.005 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.03 177.13 47.38 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.15 178.15 4.01 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.353 0.596 . . . . 0.0 111.211 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.507 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 51.9 m-80 -118.08 167.01 12.16 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 57.3 Cg_endo -69.94 -14.12 35.1 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 121.817 1.678 . . . . 0.0 110.659 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.76 -49.17 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.148 0.579 . . . . 0.0 109.918 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -71.11 -33.69 70.39 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 119.24 -0.41 . . . . 0.0 111.773 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 56.6 mt -59.56 -54.09 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.16 -50.17 74.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.689 0.796 . . . . 0.0 109.688 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -65.22 -10.28 30.46 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.459 0.704 . . . . 0.0 112.637 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -106.77 -30.18 9.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.508 0.595 . . . . 0.0 111.045 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 3.1 tt -79.71 -48.32 13.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.424 -0.173 . . . . 0.0 110.823 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -152.41 80.33 5.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -71.94 -179.69 4.08 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.508 2.806 . . . . 0.0 110.336 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.91 56.08 1.26 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.22 -171.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.826 1.251 . . . . 0.0 109.572 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -143.99 104.24 4.12 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 122.591 0.356 . . . . 0.0 111.538 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.455 ' CG ' HG13 ' B' ' 79' ' ' VAL . 54.4 m-85 -82.19 150.9 27.15 Favored 'General case' 0 N--CA 1.458 -0.056 0 CA-C-O 121.247 0.546 . . . . 0.0 110.916 175.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -141.28 112.78 7.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.265 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -68.49 148.4 50.64 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 122.961 0.505 . . . . 0.0 110.141 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -130.54 159.99 35.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.028 0.931 . . . . 0.0 109.973 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -52.88 174.74 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 126.968 2.107 . . . . 0.0 115.739 -168.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -119.16 173.5 6.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.328 1.051 . . . . 0.0 112.554 -175.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.2 t -160.79 176.33 11.61 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.882 0.873 . . . . 0.0 109.94 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.0 174.75 50.46 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.031 0.824 . . . . 0.0 113.544 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -78.93 173.86 12.11 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.648 0.779 . . . . 0.0 110.33 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.0 m -68.84 -9.37 50.99 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -114.0 -3.15 13.37 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.323 0.649 . . . . 0.0 111.578 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.56 17.84 2.9 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.37 1.068 . . . . 0.0 109.461 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -55.36 152.05 9.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.405 1.082 . . . . 0.0 111.436 -173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.1 p -141.38 157.92 44.55 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 40.5 m-85 -144.11 172.43 12.9 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.202 1.401 . . . . 0.0 107.358 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -147.95 156.98 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 118.198 -1.401 . . . . 0.0 111.26 175.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 94.4 mmm -124.89 155.15 39.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 174.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 93.7 p -132.81 169.05 17.3 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 168.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.84 159.51 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.26 109.46 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 171.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.403 HG13 HG21 ' B' ' 108' ' ' VAL . 2.3 p -133.6 137.22 53.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.25 11.15 0.73 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.462 0.705 . . . . 0.0 112.567 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.28 -10.93 65.5 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 123.901 0.762 . . . . 0.0 111.637 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -80.0 169.45 17.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.59 143.86 50.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.673 0.389 . . . . 0.0 110.088 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.35 166.75 23.71 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.57 0.348 . . . . 0.0 111.751 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -147.04 162.56 38.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.765 0.826 . . . . 0.0 109.334 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 108.16 0.25 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 80.7 p -85.67 166.81 15.87 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 117.291 0.545 . . . . 0.0 110.892 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.77 173.07 43.93 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -72.23 -15.52 61.93 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 117.185 0.492 . . . . 0.0 112.061 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -152.47 166.94 30.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.271 1.028 . . . . 0.0 109.451 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.23 -38.69 87.56 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -67.6 -43.07 81.38 Favored 'General case' 0 CA--C 1.527 0.083 0 C-N-CA 122.533 0.333 . . . . 0.0 110.744 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -68.76 -40.08 79.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.458 0.703 . . . . 0.0 109.977 -178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.06 93.69 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.806 0.442 . . . . 0.0 111.132 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.15 -35.7 81.92 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 122.021 -0.425 . . . . 0.0 110.762 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.55 71.3 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.256 0.48 . . . . 0.0 110.46 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -74.91 -51.44 13.81 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.412 0.285 . . . . 0.0 110.986 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.72 88.59 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 122.692 0.397 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.56 -36.0 70.8 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 122.634 0.373 . . . . 0.0 110.781 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -66.58 -35.71 80.87 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.7 m -68.71 -44.88 72.98 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.68 86.94 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.901 0.48 . . . . 0.0 110.271 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.433 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.7 tt -61.53 -65.01 0.76 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.859 . . . . 0.0 109.834 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.87 -12.24 4.22 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -101.08 -58.42 1.89 Allowed 'General case' 0 N--CA 1.458 -0.04 0 CA-C-N 118.797 0.726 . . . . 0.0 111.195 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 HG13 ' B' ' 81' ' ' VAL . 60.8 t -66.22 -27.88 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.498 0.319 . . . . 0.0 111.364 -175.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -92.75 -5.21 51.7 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.379 -177.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 58.67 20.4 7.72 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.544 0.738 . . . . 0.0 112.23 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.66 -164.22 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.489 1.116 . . . . 0.0 110.179 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -138.47 162.16 35.2 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.399 -1.286 . . . . 0.0 110.477 179.286 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.376 -3.324 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C1'-N19 111.676 3.476 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 99.281 -3.419 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.307 -3.393 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C4'-C3'-C2' 99.242 -3.458 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.274 -3.426 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.234 -3.466 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.382 -3.318 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.332 -3.368 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.664 -3.036 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.401 -3.299 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 98.808 -3.892 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.26 -3.44 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.407 -3.293 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.719 -2.981 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.417 -3.283 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.398 -3.302 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.307 -3.393 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 1 O4'-C1'-N19 112.278 4.078 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.137 -3.563 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.696 2.496 . 0.428 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 110.758 2.558 . 0.464 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 O4'-C1'-N19 110.767 2.567 . 0.815 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 C5'-C4'-C3' 110.712 -3.192 . 0.715 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.397 -3.303 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.625 -3.075 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.929 3.729 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 1 C5'-C4'-C3' 109.348 -4.101 . 0.42 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.604 -3.096 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C4'-C3'-C2' 99.284 -3.416 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C4'-C3'-C2' 99.665 -3.035 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.077 -3.623 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.371 -3.329 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C4'-C3'-C2' 99.229 -3.471 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.073 -3.627 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.232 -3.468 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.122 2.922 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 1 C5'-C4'-C3' 109.373 -4.085 . 0.797 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.016 -3.684 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 98.928 -3.772 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.41 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.707 1 C4'-C3'-C2' 98.551 -4.149 . 0.814 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.41 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 O4'-C1'-N19 111.967 3.767 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.434 0 CA-C-O 120.523 0.135 . . . . 0.0 112.157 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.4 m -141.7 6.0 1.81 Allowed 'General case' 0 C--O 1.231 0.094 0 C-N-CA 122.977 0.511 . . . . 0.0 111.457 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.23 -170.24 40.8 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -63.08 173.12 1.51 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.705 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.502 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 14.4 m120 -130.31 166.82 23.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 60.5 Cg_endo -71.9 -11.79 27.86 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.265 1.977 . . . . 0.0 110.746 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.04 -47.93 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.236 0.614 . . . . 0.0 110.052 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 9.0 mmt -69.98 -54.15 14.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.582 0.353 . . . . 0.0 111.638 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 13.8 pt -56.64 -29.67 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.466 -176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tt -69.37 -54.55 13.92 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -68.17 8.0 0.49 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.097 1.359 . . . . 0.0 112.719 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -120.13 -35.56 3.44 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 9.8 mt -63.66 -57.87 8.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 124.018 0.927 . . . . 0.0 109.558 174.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -157.55 95.06 2.08 Favored Pre-proline 0 N--CA 1.452 -0.351 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -72.34 176.87 8.03 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 123.185 2.59 . . . . 0.0 110.201 177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.46 61.89 0.69 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.38 -177.16 4.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.125 0.97 . . . . 0.0 110.42 -178.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 39.8 mtmt -140.92 104.65 4.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.474 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.4 m-85 -83.15 152.99 25.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.252 0.549 . . . . 0.0 110.646 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.07 112.13 7.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.956 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -68.64 147.72 51.48 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.858 0.463 . . . . 0.0 110.152 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.57 159.83 35.14 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.82 0.848 . . . . 0.0 109.706 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 83.7 p -53.82 175.38 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.504 1.922 . . . . 0.0 115.49 -168.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.39 173.04 7.39 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.898 0.879 . . . . 0.0 112.277 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.0 p -160.76 175.57 12.46 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.718 0.807 . . . . 0.0 110.607 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.96 173.0 48.69 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 123.874 0.75 . . . . 0.0 112.923 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -78.47 175.29 10.45 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.477 0.711 . . . . 0.0 110.257 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m -64.83 -33.14 75.3 Favored 'General case' 0 CA--C 1.527 0.07 0 O-C-N 121.925 -0.484 . . . . 0.0 112.245 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -84.79 -4.48 59.08 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.308 0.643 . . . . 0.0 112.453 -176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.55 19.99 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.265 0.626 . . . . 0.0 110.664 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -55.36 147.37 17.26 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.679 0.792 . . . . 0.0 111.186 -174.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 m -140.6 158.58 43.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.162 0.585 . . . . 0.0 109.962 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.5 m-85 -142.9 174.78 10.36 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.036 1.335 . . . . 0.0 107.965 -178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.34 158.64 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 118.464 -1.294 . . . . 0.0 111.512 174.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 93.7 mmm -127.48 157.04 41.16 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.0 p -134.0 168.98 17.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 168.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.474 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.05 161.95 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 110.07 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.2 t -131.34 109.42 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 171.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.19 127.62 67.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.19 8.44 0.56 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.052 0.941 . . . . 0.0 112.916 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 -12.49 37.98 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.167 0.889 . . . . 0.0 111.84 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.73 173.29 12.73 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -133.39 145.36 50.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -141.25 166.59 24.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.524 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -145.92 161.74 39.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.677 0.791 . . . . 0.0 109.37 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.88 107.23 0.23 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.2 p -83.64 166.94 17.73 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.413 0.607 . . . . 0.0 110.716 175.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.55 172.11 42.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -69.29 -22.71 63.78 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 117.178 0.489 . . . . 0.0 111.637 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -145.79 172.35 13.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.67 -41.03 94.26 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.785 0.834 . . . . 0.0 112.498 -175.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -71.85 -41.25 68.32 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 122.983 0.513 . . . . 0.0 111.374 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.71 -40.11 88.3 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.971 0.508 . . . . 0.0 109.741 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.35 93.03 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.627 0.371 . . . . 0.0 110.784 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -64.42 -36.94 85.8 Favored 'General case' 0 C--O 1.226 -0.171 0 O-C-N 122.159 -0.338 . . . . 0.0 110.46 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.99 0.359 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -77.64 -51.75 10.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.188 0.195 . . . . 0.0 110.595 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.16 86.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.543 0.337 . . . . 0.0 110.815 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.22 -30.8 65.27 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.865 0.466 . . . . 0.0 110.742 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -69.41 -41.0 76.98 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.0 m -65.72 -42.81 90.62 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.79 78.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.588 0.355 . . . . 0.0 110.332 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.82 -49.76 67.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.438 -0.164 . . . . 0.0 110.588 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -18.22 40.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.0 m -103.47 -52.51 2.98 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.17 0.441 . . . . 0.0 111.807 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.6 -16.56 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 81.0 m-85 -118.88 -3.22 10.75 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 57.92 19.1 5.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.296 0.638 . . . . 0.0 112.067 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.1 mt -121.62 97.63 5.59 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.286 1.034 . . . . 0.0 109.452 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -60.21 151.67 26.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 26.3 tp . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.549 -1.215 . . . . 0.0 110.823 -178.42 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.748 -2.952 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.667 3.467 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C4'-C3'-C2' 99.283 -3.417 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.397 -3.303 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 1 C5'-C4'-C3' 109.146 -4.236 . 0.807 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C4'-C3'-C2' 99.48 -3.22 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.174 -3.526 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.289 -3.411 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.162 -3.538 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.761 -2.939 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.502 -3.198 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 98.904 -3.796 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.249 -3.451 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.239 -3.461 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.944 -2.756 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.554 -3.146 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.114 -3.586 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.149 -3.551 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 1 O4'-C1'-N19 112.257 4.057 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.267 -3.433 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.771 2.571 . 0.521 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 110.645 2.445 . 0.519 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C5'-C4'-C3' 111.611 -2.593 . 0.821 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-C3' 110.817 -3.122 . 0.691 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.377 -3.323 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.492 -3.208 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 112.111 3.911 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.729 -2.971 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 98.818 -3.882 . 0.443 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 111.834 3.634 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.011 -3.689 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 111.794 3.594 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.347 -3.353 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C4'-C3'-C2' 99.059 -3.641 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C4'-C3'-C2' 98.996 -3.704 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.256 -3.444 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.111 2.911 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 C5'-C4'-C3' 109.228 -4.181 . 0.83 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 98.871 -3.829 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 98.856 -3.844 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 1 C4'-C3'-C2' 98.503 -4.197 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 O4'-C1'-N19 112.071 3.871 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.487 0 CA-C-O 120.31 0.046 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 43.1 m -69.81 -5.48 25.85 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.263 0.625 . . . . 0.0 112.5 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.31 -4.65 86.02 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 123.275 0.464 . . . . 0.0 112.434 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -75.52 -0.96 22.07 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 117.729 0.765 . . . . 0.0 111.891 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -54.03 110.8 2.29 Favored Pre-proline 0 CA--C 1.53 0.173 0 C-N-CA 122.897 0.479 . . . . 0.0 109.862 178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.4 Cg_endo -76.94 -13.36 17.53 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 123.862 3.041 . . . . 0.0 111.732 -169.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.8 -47.68 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.1 tpp -72.53 -46.29 55.27 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.904 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 5.7 pt -61.3 -37.58 77.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.125 0 CA-C-N 118.891 0.769 . . . . 0.0 111.088 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.69 -50.26 74.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.48 -9.13 31.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.45 1.1 . . . . 0.0 113.163 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -106.95 -17.37 14.21 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 118.508 0.594 . . . . 0.0 111.331 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.3 tt -97.75 -44.36 6.78 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -155.53 79.63 4.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.4 177.28 6.19 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.371 2.714 . . . . 0.0 110.542 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.13 59.49 0.8 Allowed Glycine 0 C--N 1.337 0.611 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.88 -175.98 4.08 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.151 0.981 . . . . 0.0 110.365 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -138.24 149.28 45.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.448 ' CG ' HG13 ' B' ' 79' ' ' VAL . 36.5 m-85 -126.79 153.59 45.39 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -140.7 112.8 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.335 176.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.44 148.06 51.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.772 0.429 . . . . 0.0 110.028 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -130.37 160.34 34.28 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.72 0.808 . . . . 0.0 109.97 178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -51.87 174.61 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 127.073 2.149 . . . . 0.0 115.656 -168.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -118.0 174.98 5.89 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.122 0.969 . . . . 0.0 112.462 -174.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 79.3 p -156.58 173.88 16.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.99 0.916 . . . . 0.0 110.015 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.19 179.63 52.15 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 123.166 0.412 . . . . 0.0 112.4 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -100.61 174.95 5.84 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.938 0.895 . . . . 0.0 110.185 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -62.62 -0.54 0.64 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -119.6 -0.07 10.88 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.779 0.718 . . . . 0.0 111.546 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.35 15.44 1.3 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.104 0.962 . . . . 0.0 110.11 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -55.22 146.84 17.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.538 1.135 . . . . 0.0 112.017 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -142.25 159.2 42.69 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.383 0.673 . . . . 0.0 109.917 176.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.435 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 28.5 m-85 -143.61 174.0 11.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.156 1.383 . . . . 0.0 108.197 -177.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -147.32 159.26 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.349 175.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 90.8 mmm -127.32 157.4 40.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.784 1.234 . . . . 0.0 108.133 175.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -134.18 170.3 15.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 168.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.5 t -147.69 164.89 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.4 t -135.14 108.9 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 171.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.2 125.64 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.782 -174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 7.4 t70 60.69 5.32 0.9 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.192 0.997 . . . . 0.0 112.821 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.73 -13.0 29.89 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.218 0.913 . . . . 0.0 111.675 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.81 173.63 12.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -133.36 145.85 50.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -141.79 166.99 23.22 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.599 0.36 . . . . 0.0 111.538 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.34 161.0 41.88 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.611 0.765 . . . . 0.0 109.731 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.09 116.65 0.58 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.3 p -93.39 167.89 11.43 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 117.173 0.486 . . . . 0.0 111.219 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.3 170.77 43.94 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.38 -16.39 62.96 Favored 'General case' 0 CA--C 1.528 0.116 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -147.75 169.53 19.54 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . 0.573 ' H ' ' HD2' ' B' ' 93' ' ' LYS . 0.0 OUTLIER -66.82 -25.88 66.66 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -175.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.6 -49.25 27.12 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.633 0.652 . . . . 0.0 110.259 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.33 -39.03 93.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.985 0.914 . . . . 0.0 109.628 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.25 74.81 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.737 0.415 . . . . 0.0 110.746 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -64.13 -34.63 78.5 Favored 'General case' 0 C--O 1.225 -0.213 0 O-C-N 122.037 -0.414 . . . . 0.0 110.508 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.8 -32.63 74.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.299 0.499 . . . . 0.0 110.444 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -75.12 -47.42 28.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.531 0.332 . . . . 0.0 110.779 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.8 89.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 122.403 0.281 . . . . 0.0 110.823 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.83 -33.86 68.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.223 0.609 . . . . 0.0 110.693 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -66.36 -38.23 87.11 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -67.18 -43.99 80.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.39 -46.66 88.06 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 122.375 0.27 . . . . 0.0 110.484 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.88 -60.39 3.72 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.528 0.731 . . . . 0.0 109.869 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.1 19.0 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 98.2 m -99.86 -53.33 3.19 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-N 118.536 0.607 . . . . 0.0 111.866 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 65.1 t -67.47 -31.99 55.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 118.114 0.416 . . . . 0.0 111.195 -176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.5 m-30 -90.59 -9.83 45.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 119.455 -0.307 . . . . 0.0 111.097 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 57.65 19.4 5.43 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.359 0.663 . . . . 0.0 111.64 -173.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.8 mt -129.4 109.09 10.79 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 124.548 1.139 . . . . 0.0 109.619 -177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -62.81 159.72 15.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.849 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 41.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.647 -1.168 . . . . 0.0 111.157 179.723 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.398 -3.302 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.766 3.566 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C4'-C3'-C2' 99.249 -3.451 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 98.879 -3.821 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 N19-C1'-C2' 108.595 -3.003 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.05 -3.65 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.057 -3.643 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.435 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.09 -3.61 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.465 -3.235 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.709 -2.991 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.261 -3.439 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 98.856 -3.844 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C4'-C3'-C2' 99.583 -3.117 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 100.0 -2.7 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.619 -3.081 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.307 -3.393 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.158 -3.542 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.273 -3.427 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 112.114 3.914 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.28 -3.42 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 110.677 2.477 . 0.534 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 110.651 2.451 . 0.518 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C5'-C4'-C3' 111.749 -2.501 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C5'-C4'-C3' 110.795 -3.137 . 0.696 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.455 -3.245 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.517 -3.183 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.821 3.621 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.775 -3.925 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 1 C5'-C4'-C3' 109.231 -4.18 . 0.263 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.567 -3.133 . 0.261 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.597 -3.103 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.889 3.689 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.345 -3.355 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.089 -3.611 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.215 -3.485 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.198 -3.502 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 O4'-C1'-N19 111.167 2.967 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 C5'-C4'-C3' 109.479 -4.014 . 0.872 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.148 -3.552 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 98.825 -3.875 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.405 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 C4'-C3'-C2' 98.365 -4.335 . 0.811 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 112.106 3.906 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo . . . . . 0 CA--C 1.53 0.277 0 N-CA-C 112.352 0.097 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.0 p -144.18 179.52 7.17 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 110.019 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.27 179.78 19.82 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.96 -1.68 10.35 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.775 0.83 . . . . 0.0 112.051 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.403 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 25.8 p30 -142.77 163.85 35.99 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 123.729 0.811 . . . . 0.0 110.274 -177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.505 ' HA ' HD12 ' B' ' 51' ' ' ILE . 73.4 Cg_endo -73.06 -12.37 25.8 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.953 2.435 . . . . 0.0 111.231 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.39 -54.56 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.714 0.806 . . . . 0.0 110.332 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 44.7 ttm -69.44 -30.32 68.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.017 0.376 . . . . 0.0 112.017 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' B' ' 48' ' ' PRO . 52.8 mt -58.98 -52.73 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -56.74 -49.54 74.92 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.329 1.052 . . . . 0.0 109.657 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -68.67 -5.83 22.52 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -103.94 -37.29 7.45 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.04 0.836 . . . . 0.0 110.23 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.5 tt -73.31 -49.36 27.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.419 0.288 . . . . 0.0 110.891 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -153.65 78.21 5.65 Favored Pre-proline 0 N--CA 1.454 -0.256 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -70.7 174.24 10.62 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.113 2.542 . . . . 0.0 110.017 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.19 51.73 0.81 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.05 -177.85 4.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.998 0.919 . . . . 0.0 110.801 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -140.95 105.45 4.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.113 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.496 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.7 m-85 -84.41 154.95 22.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.265 0.555 . . . . 0.0 110.821 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -138.12 161.28 37.19 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.531 170.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -118.7 139.09 52.1 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.94 158.94 29.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.38 0.672 . . . . 0.0 109.957 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.7 p -54.35 172.05 0.1 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 126.021 1.728 . . . . 0.0 115.463 -167.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.87 175.88 5.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 112.425 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -149.53 169.07 21.78 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.245 1.018 . . . . 0.0 109.069 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.92 174.18 46.73 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.28 75.38 1.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.992 0.517 . . . . 0.0 110.762 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 44.5 m 63.72 -0.36 0.77 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.972 1.309 . . . . 0.0 113.208 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -138.09 151.06 47.45 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 47.92 20.19 0.22 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.85 0.46 . . . . 0.0 111.701 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -57.87 147.74 27.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 110.395 -175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 83.5 p -145.25 158.98 43.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -144.36 170.59 15.72 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 125.342 1.457 . . . . 0.0 107.525 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.13 157.54 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 118.378 -1.329 . . . . 0.0 111.537 175.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 95.4 mmm -126.31 156.71 39.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.857 1.263 . . . . 0.0 107.867 175.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -130.86 170.41 14.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 167.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.496 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -146.4 161.92 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.217 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.49 110.23 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.18 127.01 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.681 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t70 57.1 8.94 0.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.882 0.873 . . . . 0.0 112.894 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.56 -12.67 39.26 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.12 0.867 . . . . 0.0 111.828 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -78.29 172.78 13.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -133.75 144.68 49.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.93 166.36 24.85 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.686 0.395 . . . . 0.0 111.545 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -146.42 162.62 37.84 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.572 0.749 . . . . 0.0 109.422 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.86 110.71 0.32 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 82.2 p -90.38 166.04 13.51 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.194 0.497 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.68 171.68 43.84 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -73.8 -13.19 60.9 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 117.337 0.568 . . . . 0.0 112.504 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -147.86 170.26 18.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.731 0.813 . . . . 0.0 109.359 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.9 -32.77 74.47 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -67.63 -51.61 47.98 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 123.568 0.747 . . . . 0.0 110.724 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.47 -39.5 94.62 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 124.428 1.091 . . . . 0.0 109.671 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.38 85.05 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.936 0.494 . . . . 0.0 111.109 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -65.39 -40.37 93.38 Favored 'General case' 0 C--O 1.225 -0.222 0 O-C-N 122.034 -0.416 . . . . 0.0 110.52 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.12 71.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.045 0.384 . . . . 0.0 110.591 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -73.6 -54.15 8.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.767 0.427 . . . . 0.0 110.758 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.22 77.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.592 0.357 . . . . 0.0 110.984 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.52 -38.73 71.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.134 0.574 . . . . 0.0 110.529 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -65.55 -36.56 84.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -66.14 -45.92 79.32 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.087 0.403 . . . . 0.0 110.058 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.43 89.15 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 122.404 0.281 . . . . 0.0 110.531 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.426 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.9 tt -62.18 -65.8 0.63 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.865 0.866 . . . . 0.0 109.626 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.34 -11.41 4.18 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -100.92 -58.39 1.9 Allowed 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.744 0.702 . . . . 0.0 111.063 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.4 t -66.54 -29.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.663 0.211 . . . . 0.0 111.107 -175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.1 m-30 -89.86 -5.37 56.9 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.448 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 58.27 20.21 6.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.408 0.683 . . . . 0.0 112.343 -177.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.5 mt -122.3 -164.94 1.22 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.51 1.124 . . . . 0.0 110.096 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -137.69 161.83 35.46 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 39.4 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.276 -1.345 . . . . 0.0 110.528 179.3 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.296 -3.404 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 111.963 3.763 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.162 -3.538 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 98.848 -3.852 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.367 -3.333 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.16 -3.54 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.417 -3.283 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.431 -3.269 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.306 -3.394 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.896 -2.804 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.665 -3.035 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C4'-C3'-C2' 98.993 -3.707 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C4'-C3'-C2' 99.388 -3.312 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.401 -3.299 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.438 -3.262 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.606 -3.094 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.266 -3.434 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C4'-C3'-C2' 98.981 -3.719 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 1 O4'-C1'-N19 112.333 4.133 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.202 -3.498 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 110.671 2.471 . 0.446 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 110.694 2.494 . 0.475 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 C5'-C4'-C3' 111.424 -2.717 . 0.83 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C5'-C4'-C3' 111.151 -2.899 . 0.704 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.178 -3.522 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.464 -3.236 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 O4'-C1'-N19 111.836 3.636 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 99.121 -3.579 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.916 -3.784 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.151 -3.549 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.402 -3.298 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.065 -3.635 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.499 -3.201 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.309 -3.391 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.13 -3.57 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 O4'-C1'-N19 111.702 3.502 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 O4'-C1'-N19 111.264 3.064 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 108.835 -4.443 . 0.659 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C4'-C3'-C2' 99.019 -3.681 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.276 -3.424 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.405 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 C4'-C3'-C2' 98.33 -4.37 . 0.797 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 O4'-C1'-N19 112.164 3.964 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.599 ' N ' HO2' ' A' ' 30' ' ' ' C' . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.171 0 N-CA-C 112.693 0.228 . . . . 0.0 112.693 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 p -71.07 170.79 12.12 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.925 0.49 . . . . 0.0 111.042 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.8 5.47 57.25 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.687 -0.507 . . . . 0.0 113.191 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.49 -13.98 62.53 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.901 0.851 . . . . 0.0 112.389 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.539 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 82.6 m-20 -135.52 166.35 29.36 Favored Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 123.703 0.801 . . . . 0.0 109.779 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 81.2 Cg_endo -75.74 -7.47 18.51 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.377 2.718 . . . . 0.0 110.633 -177.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.57 -49.97 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 123.466 0.706 . . . . 0.0 110.673 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 34.8 mtp -74.64 -41.44 60.36 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 119.19 -0.433 . . . . 0.0 111.922 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.3 pt -59.5 -33.58 51.98 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.406 ' C ' HD23 ' B' ' 52' ' ' LEU . 4.7 tt -63.49 -57.51 9.99 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -64.0 -0.44 1.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.954 1.302 . . . . 0.0 113.796 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -120.99 -14.61 8.42 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.894 0.77 . . . . 0.0 111.876 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.421 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.2 tt -93.44 -51.26 5.05 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 40.9 tpt85 -153.81 81.95 4.66 Favored Pre-proline 0 N--CA 1.45 -0.444 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -68.98 174.38 8.92 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.947 2.431 . . . . 0.0 109.499 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.04 49.32 0.3 Allowed Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.46 HD22 ' CE1' ' B' ' 61' ' ' TYR . 0.4 OUTLIER -128.96 -177.8 4.36 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.648 0.779 . . . . 0.0 109.67 -177.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 52.4 mtmt -147.04 99.89 3.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.333 0.653 . . . . 0.0 110.126 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.46 ' CE1' HD22 ' B' ' 59' ' ' LEU . 73.6 m-85 -77.69 154.25 32.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.674 0.75 . . . . 0.0 111.886 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -137.14 163.81 29.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.071 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -122.57 137.93 54.74 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.05 158.5 29.06 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 123.391 0.676 . . . . 0.0 110.121 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.5 m -54.53 170.62 0.15 Allowed 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 125.746 1.618 . . . . 0.0 115.177 -166.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.22 174.19 6.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.971 -176.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -157.6 173.49 16.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.507 0.723 . . . . 0.0 110.203 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.56 175.71 50.46 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.68 0.657 . . . . 0.0 112.727 177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -84.44 174.79 9.78 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.523 0.729 . . . . 0.0 110.506 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m -65.07 -5.97 7.75 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -118.36 0.56 11.69 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.5 0.72 . . . . 0.0 111.646 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.68 16.84 2.17 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.301 1.04 . . . . 0.0 109.599 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -58.07 150.97 19.71 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.743 1.217 . . . . 0.0 112.179 -172.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.7 m -142.37 157.38 44.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.858 0.863 . . . . 0.0 109.16 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -142.26 169.92 16.67 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.869 1.268 . . . . 0.0 107.736 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.24 157.09 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 118.341 -1.344 . . . . 0.0 111.067 175.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.42 154.73 43.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.833 1.253 . . . . 0.0 107.705 175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.0 p -129.63 169.98 14.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 166.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.3 t -145.39 153.1 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.45 99.02 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 171.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.601 HG12 ' H ' ' B' ' 82' ' ' ASP . 3.2 t -77.16 -133.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.158 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . 0.601 ' H ' HG12 ' B' ' 81' ' ' VAL . 38.8 t70 -49.79 -5.37 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.328 2.251 . . . . 0.0 113.417 172.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 141.08 -14.55 2.81 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.291 0.948 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.94 165.41 23.51 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -125.67 143.86 50.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.724 0.409 . . . . 0.0 110.097 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -141.68 165.74 26.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.927 0.491 . . . . 0.0 110.872 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -148.08 162.51 39.24 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.182 0.593 . . . . 0.0 109.866 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.72 116.29 0.58 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 47.0 t -98.78 160.55 14.19 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.264 0.532 . . . . 0.0 110.25 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.95 169.04 41.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.5 ptm85 -70.3 -14.4 62.57 Favored 'General case' 0 N--CA 1.461 0.08 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -145.17 166.94 23.99 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 123.631 0.772 . . . . 0.0 108.932 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.12 -27.53 67.4 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -70.44 -50.83 34.2 Favored 'General case' 0 C--N 1.337 0.054 0 CA-C-N 118.176 0.444 . . . . 0.0 110.506 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.97 -39.83 95.89 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.482 1.113 . . . . 0.0 109.709 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -48.6 79.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.821 0.448 . . . . 0.0 110.844 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -66.36 -39.48 89.18 Favored 'General case' 0 C--O 1.225 -0.209 0 O-C-N 122.167 -0.333 . . . . 0.0 110.728 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.49 -32.61 73.55 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.266 0.485 . . . . 0.0 110.796 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -71.38 -49.97 36.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.093 0.557 . . . . 0.0 110.928 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.4 72.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.708 0.403 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.71 -39.57 66.85 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.142 0.577 . . . . 0.0 110.791 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -62.35 -37.66 86.5 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 63.9 m -68.5 -44.37 74.83 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.28 -38.92 88.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.961 0.504 . . . . 0.0 110.879 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.435 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.2 tt -63.6 -69.99 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.578 0.751 . . . . 0.0 109.757 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -46.85 -48.43 21.0 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -174.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.7 m -67.77 -58.18 5.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.95 -29.07 43.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 118.089 0.404 . . . . 0.0 111.397 -175.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.4 m-30 -87.65 -5.22 58.81 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 119.401 -0.333 . . . . 0.0 110.99 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.41 25.14 12.55 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.67 0.788 . . . . 0.0 111.978 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 86.4 mt -127.19 -167.34 1.72 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.208 1.003 . . . . 0.0 110.581 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . 0.462 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.8 t-80 -134.0 -179.53 5.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.347 0.659 . . . . 0.0 109.859 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.462 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 23.8 tp . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.217 -1.373 . . . . 0.0 110.507 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.663 -3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.718 3.518 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C4'-C3'-C2' 99.171 -3.529 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.286 -3.414 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 1 C5'-C4'-C3' 109.408 -4.062 . 0.829 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.778 -2.922 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 99.331 -3.369 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.431 -3.269 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.503 -3.197 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.844 -2.856 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.641 -3.059 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.045 -3.655 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.375 -3.325 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.588 -3.112 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.721 -2.979 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.257 -3.443 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.303 -3.397 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.048 -3.652 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 O4'-C1'-N19 112.145 3.945 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.241 -3.459 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 110.694 2.494 . 0.433 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 O4'-C1'-N19 110.599 2.399 . 0.469 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C5'-C4'-C3' 111.399 -2.734 . 0.833 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C5'-C4'-C3' 111.114 -2.924 . 0.706 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.485 -3.215 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.542 -3.158 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.897 3.697 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 27' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 99.558 -3.142 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 98.722 -3.978 . 0.576 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.599 HO2' ' N ' ' B' ' 43' ' ' PRO . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 O4'-C1'-N19 111.498 3.298 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . 0.412 ' C8 ' " H2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.75 -2.95 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.749 3.549 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.246 -3.454 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C4'-C3'-C2' 99.08 -3.62 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.144 -3.556 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.615 3.415 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.005 2.805 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 1 C5'-C4'-C3' 108.764 -4.49 . 0.858 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 98.932 -3.768 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 98.979 -3.721 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 1 C4'-C3'-C2' 98.453 -4.247 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.969 3.769 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.369 0 CA-C-O 120.471 0.113 . . . . 0.0 112.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.5 t -67.9 177.1 2.26 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.255 0.622 . . . . 0.0 111.128 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.14 -6.32 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.244 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -137.03 1.35 2.47 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 117.585 0.693 . . . . 0.0 111.671 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.23 130.73 91.8 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 122.711 0.404 . . . . 0.0 110.537 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' B' ' 51' ' ' ILE . 98.0 Cg_endo -81.36 -11.82 11.74 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 124.185 3.256 . . . . 0.0 113.608 -171.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.63 -49.6 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 CA-C-N 118.392 0.542 . . . . 0.0 111.108 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -38.82 87.91 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 117.94 0.336 . . . . 0.0 111.347 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.7 mt -55.45 -51.42 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.253 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.51 -41.33 96.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 122.995 0.518 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.45 -2.47 3.31 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.861 0.464 . . . . 0.0 111.176 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -120.96 -14.68 8.41 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.21 -0.306 . . . . 0.0 110.44 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.771 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.5 OUTLIER -89.22 -37.18 15.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -165.91 86.87 0.93 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 123.876 0.87 . . . . 0.0 109.829 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -73.99 0.79 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.871 3.047 . . . . 0.0 113.769 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.88 67.83 3.51 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 118.375 0.534 . . . . 0.0 112.309 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.7 -174.87 4.09 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.288 0.635 . . . . 0.0 111.432 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 48.7 mtmt -145.04 111.32 5.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.845 0.858 . . . . 0.0 110.342 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.475 ' CG ' HG13 ' B' ' 79' ' ' VAL . 44.5 m-85 -85.52 154.25 21.89 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 121.301 0.572 . . . . 0.0 111.08 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.58 111.27 6.56 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.996 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.4 147.79 51.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.875 0.47 . . . . 0.0 110.025 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.34 157.85 40.75 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 123.554 0.742 . . . . 0.0 110.191 177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -52.74 173.79 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.904 2.081 . . . . 0.0 115.619 -168.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.59 174.03 6.12 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.51 1.124 . . . . 0.0 112.161 -175.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 21.4 t -157.37 175.07 14.48 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.616 0.766 . . . . 0.0 110.065 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.95 176.46 43.7 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 123.872 0.748 . . . . 0.0 113.014 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -81.49 172.45 13.49 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.26 0.624 . . . . 0.0 110.229 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 25.1 m -66.58 -11.64 54.09 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -109.26 -1.26 18.72 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.162 0.585 . . . . 0.0 111.774 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.73 19.53 2.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.375 1.07 . . . . 0.0 109.328 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -56.77 155.31 7.89 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.844 1.258 . . . . 0.0 112.182 -171.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 79.8 p -142.62 159.51 42.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.204 0.602 . . . . 0.0 109.951 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.483 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 46.3 m-85 -146.4 170.4 16.9 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.935 1.294 . . . . 0.0 108.079 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.56 157.13 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.412 -1.315 . . . . 0.0 111.026 175.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.8 mmm -125.34 155.3 40.49 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.5 p -133.87 169.34 17.22 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.475 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.9 OUTLIER -145.89 158.4 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 93.1 t -130.94 111.3 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.433 HG13 HG21 ' B' ' 108' ' ' VAL . 2.5 p -136.08 137.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.21 11.29 0.75 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.26 0.624 . . . . 0.0 112.628 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.36 -11.37 68.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 123.723 0.678 . . . . 0.0 111.423 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -79.13 170.6 16.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -133.1 143.94 49.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -138.34 166.16 24.94 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.617 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -147.09 162.93 37.82 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.54 0.736 . . . . 0.0 109.444 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.29 107.87 0.25 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.1 p -90.37 164.92 14.13 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.34 0.57 . . . . 0.0 110.922 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.67 171.32 42.72 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -75.81 -9.63 58.76 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 117.523 0.661 . . . . 0.0 111.933 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.6 160.32 43.24 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.625 1.17 . . . . 0.0 109.024 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -66.99 -30.86 71.09 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.461 ' HE3' ' OP1' ' A' ' 30' ' ' ' C' . 86.3 tttt -66.75 -45.81 77.39 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.056 0.543 . . . . 0.0 110.379 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.25 -39.6 82.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.04 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.3 0.64 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -65.42 -38.62 90.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 122.123 -0.361 . . . . 0.0 110.771 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.74 73.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.24 0.473 . . . . 0.0 110.755 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.28 -51.95 18.5 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.241 0.616 . . . . 0.0 111.061 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.1 79.53 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.676 0.39 . . . . 0.0 111.031 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.97 70.66 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 122.99 0.516 . . . . 0.0 110.873 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -65.66 -36.47 83.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.95 -0.469 . . . . 0.0 110.009 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.8 m -65.97 -43.35 88.12 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -32.34 71.02 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.6 tm? -70.56 -62.6 1.33 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.25 -10.85 17.56 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -174.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 38.6 m -101.45 -62.93 1.19 Allowed 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.95 0.795 . . . . 0.0 111.955 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.433 HG21 HG13 ' B' ' 81' ' ' VAL . 54.5 t -62.19 -31.53 51.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.031 0 C-N-CA 122.551 0.34 . . . . 0.0 111.715 -173.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.771 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 18.9 m-85 -90.58 -4.61 56.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.778 -175.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 58.84 18.96 6.53 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.535 0.734 . . . . 0.0 111.928 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 70.1 mt -119.03 -162.78 0.92 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.381 1.073 . . . . 0.0 110.307 -177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -134.26 161.37 35.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.669 -1.158 . . . . 0.0 110.408 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C4'-C3'-C2' 99.331 -3.369 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.771 3.571 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.411 -3.289 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.467 -3.233 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C5'-C4'-C3' 109.934 -3.711 . 0.785 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.721 -2.979 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 98.846 -3.854 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.483 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.356 -3.344 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.582 -3.118 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.791 -2.909 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.416 -3.284 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.903 -3.797 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.334 -3.366 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.477 -3.223 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.972 -2.728 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 99.123 -3.577 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.105 -3.595 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.053 -3.647 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 98.736 -3.964 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.975 -3.725 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 C5'-C4'-C3' 108.985 -4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 1 O4'-C1'-N19 112.351 4.151 . 0.313 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 C5'-C4'-C3' 111.684 -2.544 . 0.875 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C5'-C4'-C3' 111.155 -2.896 . 0.697 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.5 -3.2 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.392 -3.308 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 112.148 3.948 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C4'-C3'-C2' 99.36 -3.34 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C4'-C3'-C2' 99.409 -3.291 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.461 ' OP1' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C4'-C3'-C2' 99.239 -3.461 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.179 -3.521 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 C4'-C3'-C2' 99.013 -3.687 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.228 -3.472 . 0.863 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.261 -3.439 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.288 -3.412 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.123 -3.577 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.419 -3.281 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.411 -3.289 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.05 -3.65 . 0.643 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.103 -3.597 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 C4'-C3'-C2' 98.381 -4.319 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 111.983 3.783 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo . . . . . 0 N--CA 1.478 0.603 0 N-CA-C 112.249 0.057 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -66.74 174.31 2.98 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.004 0.522 . . . . 0.0 111.293 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.21 -179.45 45.77 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -142.68 167.03 23.04 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.633 0.773 . . . . 0.0 109.43 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -60.81 153.53 63.52 Favored Pre-proline 0 CA--C 1.533 0.29 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 93.0 Cg_endo -76.24 -13.01 19.07 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.169 2.58 . . . . 0.0 111.879 -178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.81 -53.44 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 122.275 0.23 . . . . 0.0 110.549 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.2 tpp -73.85 -39.63 63.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.728 -174.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.42 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 10.3 pt -61.18 -38.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 CA-C-N 119.242 0.928 . . . . 0.0 110.677 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.41 ' C ' HD23 ' B' ' 52' ' ' LEU . 5.3 tt -59.87 -51.97 67.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.6 -4.06 7.83 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.146 0.978 . . . . 0.0 113.024 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -108.18 -18.77 13.69 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.01 0.524 . . . . 0.0 111.027 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -101.02 -36.59 8.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.367 0.267 . . . . 0.0 110.592 -175.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -157.46 79.48 3.47 Favored Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 122.392 0.277 . . . . 0.0 110.725 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.73 179.31 5.36 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.201 2.6 . . . . 0.0 109.495 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.97 46.36 2.26 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.0 -173.23 2.83 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.506 1.122 . . . . 0.0 109.654 -177.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -143.1 105.46 4.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.366 0.266 . . . . 0.0 111.462 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.453 ' CG ' HG13 ' B' ' 79' ' ' VAL . 47.0 m-85 -81.94 152.67 26.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.283 0.563 . . . . 0.0 110.801 174.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.6 111.84 6.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.964 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.27 148.28 51.01 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.942 0.497 . . . . 0.0 109.927 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 64' ' ' LEU . 1.6 mm? -129.96 158.47 39.45 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.586 0.755 . . . . 0.0 110.217 177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 23.4 m -52.14 173.93 0.03 OUTLIER 'General case' 0 C--N 1.338 0.109 0 C-N-CA 127.206 2.203 . . . . 0.0 115.391 -168.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 173.14 11.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.052 0.941 . . . . 0.0 112.591 -174.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 76.1 p -158.89 168.77 25.92 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.675 1.19 . . . . 0.0 108.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 -175.04 20.23 Favored Glycine 0 CA--C 1.526 0.722 0 CA-C-O 121.059 0.255 . . . . 0.0 112.536 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -124.2 20.38 8.96 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.457 1.103 . . . . 0.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.0 m 78.75 -1.99 2.35 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.179 1.792 . . . . 0.0 113.093 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -126.36 -0.59 6.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.031 0.532 . . . . 0.0 110.559 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.3 13.87 2.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.332 1.453 . . . . 0.0 109.347 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -54.26 138.97 37.62 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.588 1.155 . . . . 0.0 111.143 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.27 159.11 42.9 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.022 0.529 . . . . 0.0 110.066 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.463 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 24.0 m-85 -141.58 173.3 11.63 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.059 1.344 . . . . 0.0 108.412 -177.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -147.43 158.63 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 118.437 -1.305 . . . . 0.0 111.459 175.189 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.3 mmm -126.6 156.08 41.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.719 1.207 . . . . 0.0 107.95 174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -134.86 169.78 16.85 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 168.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.4 t -146.54 158.25 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -132.07 109.66 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.49 137.6 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 57.0 11.66 1.03 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.17 0.588 . . . . 0.0 112.459 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.46 -11.08 68.99 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 123.776 0.703 . . . . 0.0 111.371 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.83 169.29 18.13 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -131.94 144.4 50.81 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -139.92 166.03 25.73 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 122.629 0.372 . . . . 0.0 111.451 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -147.9 162.21 39.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.511 0.724 . . . . 0.0 109.632 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.08 113.0 0.41 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.9 p -91.57 167.24 12.36 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.276 0.538 . . . . 0.0 111.054 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.8 171.64 44.52 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 ptt-85 -73.39 -14.37 61.26 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -146.71 168.75 20.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -66.44 -26.1 67.05 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -74.6 -49.13 22.85 Favored 'General case' 0 C--N 1.337 0.051 0 CA-C-N 118.1 0.409 . . . . 0.0 110.661 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.23 -39.23 94.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.268 1.027 . . . . 0.0 109.192 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.71 -49.05 79.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.821 0.449 . . . . 0.0 110.616 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -65.49 -37.41 86.73 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 122.06 -0.4 . . . . 0.0 110.753 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.58 71.68 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.35 0.523 . . . . 0.0 110.727 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -75.28 -50.46 16.02 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.868 0.467 . . . . 0.0 110.763 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.76 81.13 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.655 0.382 . . . . 0.0 110.932 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.81 68.67 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.26 0.624 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -64.85 -35.33 80.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.1 m -68.76 -46.38 68.97 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.71 -42.11 83.1 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.784 0.433 . . . . 0.0 110.396 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.409 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.2 tt -62.62 -63.62 1.17 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.758 0.823 . . . . 0.0 109.932 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.49 8.74 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 94.0 m -99.79 -56.18 2.45 Favored 'General case' 0 C--N 1.338 0.069 0 CA-C-N 119.041 0.837 . . . . 0.0 111.366 176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.14 -28.09 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 122.225 0.21 . . . . 0.0 111.529 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.0 m-30 -92.7 -4.57 52.99 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 122.144 -0.348 . . . . 0.0 111.162 -177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 59.21 20.48 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.532 0.733 . . . . 0.0 112.13 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 87.9 mt -123.68 -164.38 1.22 Allowed 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.633 1.173 . . . . 0.0 110.079 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -139.62 162.03 36.09 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.505 -1.236 . . . . 0.0 110.457 179.387 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.314 -3.386 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 O4'-C1'-N19 111.923 3.723 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C4'-C3'-C2' 99.326 -3.374 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 C4'-C3'-C2' 99.322 -3.378 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 C5'-C4'-C3' 109.025 -4.317 . 0.753 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.541 -3.159 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.064 -3.636 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.463 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.291 -3.409 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 C4'-C3'-C2' 99.804 -2.896 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C4'-C3'-C2' 99.956 -2.744 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.508 -3.192 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 C4'-C3'-C2' 98.969 -3.731 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C4'-C3'-C2' 99.255 -3.445 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.546 -3.154 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.337 -3.363 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.108 -3.592 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.417 -3.283 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.206 -3.494 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 1 O4'-C1'-N19 112.305 4.105 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.245 -3.455 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 O4'-C1'-N19 110.746 2.546 . 0.507 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.736 2.536 . 0.501 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 110.935 2.735 . 0.818 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C5'-C4'-C3' 110.056 -3.63 . 0.711 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.537 -3.163 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.425 -3.275 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 O4'-C1'-N19 112.095 3.895 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.408 -3.292 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 98.98 -3.72 . 0.434 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.12 -3.58 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.467 -3.233 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 99.113 -3.587 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 99.311 -3.389 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.431 -3.269 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.226 -3.474 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.219 -3.481 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 110.972 2.772 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 1 C5'-C4'-C3' 108.871 -4.42 . 0.735 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.187 -3.513 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.075 -3.625 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 C4'-C3'-C2' 98.436 -4.264 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 112.031 3.831 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.472 0.216 0 CA-C-O 120.523 0.135 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -139.32 4.62 2.22 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.037 0.535 . . . . 0.0 111.215 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.9 -179.55 39.52 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -138.99 175.24 9.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.865 0.466 . . . . 0.0 110.961 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.403 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 25.2 p30 -146.96 164.16 24.92 Favored Pre-proline 0 N--CA 1.453 -0.277 0 C-N-CA 123.772 0.829 . . . . 0.0 109.643 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' B' ' 51' ' ' ILE . 88.0 Cg_endo -74.29 -9.86 22.04 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.684 2.256 . . . . 0.0 111.573 175.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.38 -50.89 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.912 0.485 . . . . 0.0 110.074 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.2 tpp -64.79 -40.19 94.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 122.183 0.193 . . . . 0.0 111.013 -178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 48' ' ' PRO . 43.9 mt -55.15 -52.95 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.62 -43.11 99.46 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.008 0.523 . . . . 0.0 109.832 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -66.0 -4.82 7.83 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.477 0.711 . . . . 0.0 111.809 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -117.42 -22.35 8.24 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.481 0.312 . . . . 0.0 110.454 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.722 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.4 OUTLIER -75.6 -46.28 32.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 178.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -164.23 91.35 1.05 Allowed Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 122.758 0.423 . . . . 0.0 109.961 173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.76 176.07 8.74 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.231 2.621 . . . . 0.0 110.283 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.83 51.19 0.75 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 111.784 -0.527 . . . . 0.0 111.784 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 -176.47 4.15 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 110.9 -176.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -137.37 156.42 48.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 175.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.8 m-85 -130.53 154.58 47.65 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -140.36 112.04 7.43 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.094 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -74.32 146.72 42.88 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -127.99 155.74 43.8 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.314 0.645 . . . . 0.0 110.27 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 34.0 m -56.31 172.98 0.19 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.726 1.61 . . . . 0.0 113.887 -171.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.68 169.8 15.68 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.264 -172.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -153.61 176.8 11.66 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.188 0.995 . . . . 0.0 109.649 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.22 179.82 33.93 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.52 171.65 14.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.054 0.542 . . . . 0.0 110.768 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m -68.06 -9.35 45.39 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -120.87 2.17 10.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.941 0.896 . . . . 0.0 111.2 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -140.8 17.95 2.32 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.078 0.951 . . . . 0.0 110.243 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.488 ' HG2' ' CZ ' ' B' ' 75' ' ' PHE . 29.5 tptt -56.46 153.89 9.31 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.86 0.864 . . . . 0.0 111.207 -175.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -139.52 86.2 2.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.802 0.441 . . . . 0.0 110.883 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.488 ' CZ ' ' HG2' ' B' ' 73' ' ' LYS . 21.3 m-85 -77.73 166.06 23.43 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.6 OUTLIER -144.37 157.03 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.778 175.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -141.61 133.92 28.0 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -175.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -120.51 172.49 7.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.17 166.23 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.343 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.6 t -136.98 109.57 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.22 126.43 65.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 122.998 0.519 . . . . 0.0 109.753 -174.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.34 7.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.326 1.051 . . . . 0.0 113.016 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.49 -13.43 33.03 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 124.0 0.81 . . . . 0.0 111.672 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -79.46 174.19 11.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -133.93 146.02 50.12 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.07 164.45 30.24 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 122.743 0.417 . . . . 0.0 110.945 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -146.49 160.52 42.01 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.162 0.585 . . . . 0.0 109.657 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.35 107.6 0.26 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.9 p -84.37 164.14 19.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.72 0.76 . . . . 0.0 110.381 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.7 168.09 40.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -70.68 -13.22 61.99 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 122.658 -0.319 . . . . 0.0 111.557 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -148.53 159.95 43.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.393 1.077 . . . . 0.0 109.253 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -65.71 -29.62 70.19 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -71.42 -35.4 70.95 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.373 0.533 . . . . 0.0 110.418 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.4 -38.14 65.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.15 -48.82 70.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.401 0.281 . . . . 0.0 110.415 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -63.25 -39.66 95.24 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 119.354 -0.355 . . . . 0.0 110.827 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.02 85.17 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.241 0.473 . . . . 0.0 110.696 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -69.07 -52.23 30.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.97 0.508 . . . . 0.0 110.906 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.35 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.657 0.383 . . . . 0.0 111.546 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.87 -38.6 66.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.684 0.394 . . . . 0.0 110.755 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -65.93 -35.51 80.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.3 m -67.28 -43.96 80.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.99 69.24 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.776 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' B' ' 109' ' ' PHE . 1.5 tm? -69.75 -64.85 0.8 Allowed 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.36 -16.1 32.07 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -173.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 69.4 m -96.26 -62.26 1.3 Allowed 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.66 0.664 . . . . 0.0 111.811 178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.98 -30.64 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-N 117.982 0.355 . . . . 0.0 111.728 -173.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.722 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 12.6 m-85 -90.23 -4.76 57.0 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 119.375 -0.345 . . . . 0.0 111.723 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 59.51 18.31 6.83 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.788 0.835 . . . . 0.0 112.459 -177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 75.1 mt -116.72 -163.81 0.94 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.907 0.883 . . . . 0.0 110.468 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -128.78 170.2 13.62 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.161 0.584 . . . . 0.0 109.456 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 20.9 tp . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.745 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.474 -3.226 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 O4'-C1'-N19 111.764 3.564 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 C4'-C3'-C2' 99.106 -3.594 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 98.88 -3.82 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.175 -3.525 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.09 -3.61 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C4'-C3'-C2' 99.372 -3.328 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.332 -3.368 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.452 -3.248 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.823 -2.877 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.455 -3.245 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 98.988 -3.712 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.394 -3.306 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.547 -3.153 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C5'-C4'-O4' 112.879 2.628 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 C5'-C4'-C3' 108.488 -4.674 . 0.508 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.54 -3.16 . 0.456 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.091 -3.609 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 1 O4'-C1'-N19 112.274 4.074 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.059 -3.641 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 C5'-C4'-C3' 108.345 -4.77 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 O4'-C1'-N19 112.244 4.044 . 0.301 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 110.786 2.586 . 0.866 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C5'-C4'-C3' 111.368 -2.754 . 0.687 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.4 -3.3 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.67 -3.03 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 O4'-C1'-N19 111.8 3.6 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.607 -3.093 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.138 -3.562 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.531 -3.169 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.721 -2.979 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.1 -3.6 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.315 -3.385 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 99.6 -3.1 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.224 -3.476 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.065 -3.635 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.25 -3.45 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 98.843 -3.857 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.02 -3.68 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 98.793 -3.907 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.407 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C4'-C3'-C2' 98.469 -4.231 . 0.82 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.407 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 112.062 3.862 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 N--CA 1.471 0.15 0 CA-C-O 120.543 0.143 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -71.96 -13.15 61.55 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.099 0.56 . . . . 0.0 111.709 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.12 176.58 25.47 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -75.94 -12.61 60.18 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.808 0.443 . . . . 0.0 112.028 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.579 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 68.0 m-20 59.33 170.73 0.06 OUTLIER Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 124.561 1.145 . . . . 0.0 111.114 -178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' B' ' 47' ' ' ASN . 67.2 Cg_endo -73.58 -8.77 22.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.189 1.926 . . . . 0.0 110.525 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -57.04 -52.56 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.323 1.049 . . . . 0.0 110.446 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 58.9 tpp -71.45 -30.65 66.28 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.38 -0.343 . . . . 0.0 111.399 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' B' ' 48' ' ' PRO . 48.4 mt -59.21 -53.85 42.44 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.122 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.48 -49.35 72.74 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.398 1.079 . . . . 0.0 109.409 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -69.74 -4.99 22.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -106.43 -27.41 10.96 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 118.907 0.776 . . . . 0.0 110.367 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.94 -54.35 6.4 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -155.87 86.21 3.19 Favored Pre-proline 0 N--CA 1.453 -0.294 0 O-C-N 123.125 0.265 . . . . 0.0 110.427 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.85 177.45 6.99 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.536 2.824 . . . . 0.0 109.975 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.53 46.65 0.78 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.02 -175.23 3.49 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.881 0.872 . . . . 0.0 110.574 -175.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -138.51 156.33 47.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 79' ' ' VAL . 36.2 m-85 -130.63 154.45 47.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -139.91 111.93 7.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.23 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.2 147.09 45.04 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -128.14 158.56 37.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.615 0.766 . . . . 0.0 110.201 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -53.86 174.28 0.05 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 126.497 1.919 . . . . 0.0 115.357 -168.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -126.22 173.2 9.45 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.111 0.964 . . . . 0.0 112.448 -175.153 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -161.94 173.04 15.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.072 0.949 . . . . 0.0 109.592 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.66 172.06 36.18 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.769 0.7 . . . . 0.0 112.951 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.9 176.94 6.62 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.841 0.856 . . . . 0.0 110.462 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -63.04 -1.92 1.09 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -127.28 2.73 6.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.555 0.742 . . . . 0.0 111.563 -177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.93 11.21 2.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.916 0.886 . . . . 0.0 110.485 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -55.62 143.15 31.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.986 0.914 . . . . 0.0 111.201 -174.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.5 m -141.79 156.47 45.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.43 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 37.5 m-85 -139.64 169.56 17.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.362 1.465 . . . . 0.0 107.802 -178.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.78 157.46 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 118.517 -1.273 . . . . 0.0 110.711 174.018 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tpt -143.72 136.01 26.86 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 85.1 p -122.94 172.33 8.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.63 0.372 . . . . 0.0 110.096 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' B' ' 61' ' ' TYR . 1.5 t -146.52 166.38 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-O 120.889 0.376 . . . . 0.0 110.449 -177.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -137.38 110.0 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.56 127.9 65.24 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.755 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.7 t70 57.36 9.26 0.71 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.946 0.898 . . . . 0.0 112.76 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.46 -13.19 43.38 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.063 0.839 . . . . 0.0 111.698 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 173.95 11.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -133.89 145.87 50.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -141.61 163.87 31.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.713 0.405 . . . . 0.0 110.881 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -146.39 162.22 38.69 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.126 0.57 . . . . 0.0 109.714 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.45 106.39 0.22 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.7 p -82.9 164.57 20.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 117.611 0.705 . . . . 0.0 110.183 175.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.32 173.0 43.07 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -76.75 -13.03 60.06 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.835 0.454 . . . . 0.0 111.563 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -150.84 167.66 26.8 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.717 0.807 . . . . 0.0 109.68 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -62.41 -44.81 95.55 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 123.363 0.665 . . . . 0.0 112.589 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -66.11 -34.66 78.56 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 122.38 -0.2 . . . . 0.0 111.166 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -71.93 -38.28 69.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.93 74.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -63.83 -37.95 89.27 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 119.288 -0.387 . . . . 0.0 110.669 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.23 83.27 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.414 0.552 . . . . 0.0 110.308 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.46 -53.73 15.18 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 122.721 0.408 . . . . 0.0 110.661 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.16 77.64 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.567 0.347 . . . . 0.0 111.592 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.19 69.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.482 0.313 . . . . 0.0 110.502 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -62.21 -37.32 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 64.9 m -67.55 -45.69 74.91 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 118.066 0.394 . . . . 0.0 110.147 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.5 -42.78 88.43 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.496 0.319 . . . . 0.0 110.287 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.439 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.8 tt -61.12 -65.94 0.61 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.324 1.05 . . . . 0.0 109.395 176.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.5 -10.81 2.38 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -174.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.5 m -104.64 -55.03 2.41 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.957 0.799 . . . . 0.0 111.661 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.91 -27.31 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 118.143 0.428 . . . . 0.0 110.486 -175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.438 ' CD2' ' HG ' ' B' ' 105' ' ' LEU . 5.4 m-30 -92.72 -4.99 52.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.311 -0.376 . . . . 0.0 111.358 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 59.25 20.62 8.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.504 0.722 . . . . 0.0 112.602 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 77.9 mt -119.08 -165.13 1.1 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.046 0.939 . . . . 0.0 110.504 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.4 t-80 -135.81 -178.73 5.27 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.281 0.632 . . . . 0.0 109.874 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.379 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.385 -3.315 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 O4'-C1'-N19 111.792 3.592 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 C4'-C3'-C2' 99.324 -3.376 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 0 C4'-C3'-C2' 99.175 -3.525 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C5'-C4'-C3' 109.669 -3.887 . 0.826 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.275 -3.425 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.587 -3.113 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.519 -3.181 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.191 -3.509 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.67 -3.03 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.783 -2.917 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C4'-C3'-C2' 98.933 -3.767 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.148 -3.552 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.522 -3.178 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 100.095 -2.605 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.587 -3.113 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.314 -3.386 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.235 -3.465 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.283 4.083 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.542 0 C4'-C3'-C2' 99.159 -3.541 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 C5'-C4'-C3' 108.243 -4.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.354 4.154 . 0.306 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.02 2.82 . 0.864 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.911 -3.059 . 0.707 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.912 -2.788 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.509 -3.191 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 112.232 4.032 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.429 -3.271 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.712 -2.988 . 0.227 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C4'-C3'-C2' 99.149 -3.551 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 C4'-C3'-C2' 99.85 -2.85 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.706 3.506 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.39 -3.31 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.11 -3.59 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.165 -3.535 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.191 -3.509 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.256 3.056 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C5'-C4'-C3' 109.176 -4.216 . 0.73 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 C4'-C3'-C2' 98.973 -3.727 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 98.955 -3.745 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.402 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.662 1 C4'-C3'-C2' 98.362 -4.338 . 0.801 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 112.147 3.947 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 N--CA 1.471 0.182 0 N-CA-C 112.434 0.129 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 93.2 p -77.24 -171.92 2.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.667 0.787 . . . . 0.0 110.603 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.83 -5.74 20.39 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 119.969 -0.35 . . . . 0.0 112.439 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.36 2.0 10.37 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.661 0.785 . . . . 0.0 111.464 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -55.4 159.44 4.55 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.868 0.867 . . . . 0.0 111.288 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.419 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.7 Cg_endo -71.07 -11.45 29.09 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.846 2.364 . . . . 0.0 111.505 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 46.2 t -60.61 -51.93 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.3 mmt -69.25 -30.32 68.43 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' B' ' 48' ' ' PRO . 45.3 mt -61.23 -54.97 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.105 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.9 -50.06 73.67 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.145 0.978 . . . . 0.0 109.439 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.46 -10.5 44.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.739 . . . . 0.0 112.816 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -105.66 -30.75 9.27 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.456 0.571 . . . . 0.0 110.759 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.458 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.9 tt -78.1 -50.79 11.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.442 -0.162 . . . . 0.0 110.771 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -153.67 80.54 5.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.1 178.11 5.76 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.387 2.725 . . . . 0.0 110.024 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.71 46.19 1.06 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.131 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.51 -174.5 3.31 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.332 1.053 . . . . 0.0 109.932 -177.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -139.21 154.06 47.97 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.456 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.5 m-85 -128.93 154.37 46.62 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -141.04 112.01 7.17 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.309 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -68.75 147.64 51.5 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.714 0.406 . . . . 0.0 109.944 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.07 157.5 41.55 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.513 0.725 . . . . 0.0 110.016 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.2 m -53.61 173.74 0.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 126.428 1.891 . . . . 0.0 115.114 -168.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.448 ' HB2' ' HE3' ' B' ' 73' ' ' LYS . 0.0 OUTLIER -118.17 171.92 7.78 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.231 -175.238 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -149.35 170.81 17.67 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.168 0.987 . . . . 0.0 109.925 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.86 173.41 49.49 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 123.589 0.614 . . . . 0.0 112.806 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -80.46 -174.06 4.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.266 1.026 . . . . 0.0 110.42 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 26.4 p -59.97 -11.64 6.17 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.232 0.613 . . . . 0.0 111.791 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -121.78 155.95 34.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.892 1.277 . . . . 0.0 107.917 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.77 20.16 1.09 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.704 0.402 . . . . 0.0 111.72 -172.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.448 ' HE3' ' HB2' ' B' ' 66' ' ' GLU . 42.3 tptt -56.03 152.62 10.11 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.31 1.044 . . . . 0.0 110.493 -178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -141.48 153.59 45.03 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 122.74 0.416 . . . . 0.0 110.51 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 38.5 m-85 -142.69 172.13 13.11 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.772 1.629 . . . . 0.0 107.709 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.92 159.06 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 118.414 -1.314 . . . . 0.0 111.777 174.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 87.7 mmm -127.33 157.01 41.05 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 107.972 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -134.37 170.65 15.42 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 167.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.0 t -145.96 161.38 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.16 109.65 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 170.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -135.4 138.22 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.73 12.22 1.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.249 0.619 . . . . 0.0 112.459 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.29 -11.28 70.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.28 170.07 17.18 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -133.01 144.19 49.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -139.01 167.19 22.61 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.529 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -146.8 162.3 38.88 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.741 0.816 . . . . 0.0 109.555 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.85 111.69 0.35 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 81.1 p -91.0 164.77 13.85 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 117.31 0.555 . . . . 0.0 111.026 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.95 169.44 41.84 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.95 -10.6 59.64 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 117.411 0.605 . . . . 0.0 112.273 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -148.18 162.81 38.69 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.545 1.138 . . . . 0.0 109.31 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.03 -34.64 78.93 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.82 -44.12 78.02 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 118.135 0.425 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.13 -39.56 86.61 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.07 -47.33 83.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.442 0.297 . . . . 0.0 110.966 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -66.17 -39.33 89.67 Favored 'General case' 0 C--O 1.225 -0.205 0 O-C-N 122.061 -0.399 . . . . 0.0 110.496 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.77 71.35 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.134 0.425 . . . . 0.0 110.512 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -74.13 -55.34 6.2 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 122.929 0.491 . . . . 0.0 110.615 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.41 79.31 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.656 0.382 . . . . 0.0 111.3 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.04 -37.8 72.55 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.205 0.602 . . . . 0.0 110.388 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -65.26 -37.34 86.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 67.2 m -67.89 -43.66 78.79 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-N 118.243 0.474 . . . . 0.0 110.231 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.58 87.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.848 0.459 . . . . 0.0 110.137 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.3 -59.89 4.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.604 0.762 . . . . 0.0 109.467 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.16 -16.62 8.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -175.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.6 m -103.15 -55.94 2.32 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 118.589 0.631 . . . . 0.0 111.599 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.28 -29.53 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.059 0 C-N-CA 122.287 0.235 . . . . 0.0 111.188 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 4.0 m-30 -91.38 -8.74 47.14 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 122.249 -0.282 . . . . 0.0 111.139 -179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.26 18.12 4.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 111.288 -173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 82.5 mt -130.32 108.86 10.32 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.886 1.275 . . . . 0.0 109.312 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -62.8 157.89 20.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.624 0.25 . . . . 0.0 110.601 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.252 1.199 0 CA-C-O 117.668 -1.158 . . . . 0.0 110.324 179.017 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.406 -3.294 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 O4'-C1'-N19 111.729 3.529 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 C4'-C3'-C2' 99.282 -3.418 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.158 -3.542 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.195 -3.505 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.571 -3.129 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.24 -3.46 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.252 -3.448 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.435 -3.265 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 100.191 -2.509 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.538 -3.162 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.896 -3.804 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.638 -3.062 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 99.396 -3.304 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.869 -2.831 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.35 -3.35 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.457 -3.243 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C4'-C3'-C2' 99.386 -3.314 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 112.055 3.855 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.083 -3.617 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 O4'-C1'-N19 111.128 2.928 . 0.589 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C5'-C4'-C3' 112.107 -2.262 . 0.611 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.877 0 O4'-C1'-N19 111.878 3.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C5'-C4'-C3' 109.697 -3.869 . 0.574 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 C4'-C3'-C2' 99.549 -3.151 . 0.637 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.635 -3.065 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 O4'-C1'-N19 111.959 3.759 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 98.956 -3.744 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-C3' 109.547 -3.968 . 0.242 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C4'-C3'-C2' 99.039 -3.661 . 0.311 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 C4'-C3'-C2' 99.87 -2.83 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.101 -3.599 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.252 -3.448 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C4'-C3'-C2' 99.205 -3.495 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.138 -3.562 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.056 -3.644 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 111.333 3.133 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 C5'-C4'-C3' 108.958 -4.361 . 0.423 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.276 -3.424 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 98.93 -3.77 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 1 C4'-C3'-C2' 98.461 -4.239 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 O4'-C1'-N19 111.978 3.778 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo . . . . . 0 CA--C 1.528 0.219 0 N-CA-C 112.492 0.151 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.0 m -68.33 -5.54 19.29 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.401 0.68 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.66 -7.42 63.32 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.641 0.639 . . . . 0.0 112.394 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -74.46 171.51 13.63 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 117.673 0.737 . . . . 0.0 110.428 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.463 ' HB3' ' HD2' ' B' ' 48' ' ' PRO . 49.8 m-80 -70.66 165.57 44.69 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 171.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.47 ' HA ' HD12 ' B' ' 51' ' ' ILE . 66.3 Cg_endo -72.95 -11.86 25.75 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.118 1.879 . . . . 0.0 110.933 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -52.07 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.587 0.755 . . . . 0.0 110.263 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 27.2 mtp -75.34 -25.05 57.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.535 -0.466 . . . . 0.0 112.181 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' B' ' 48' ' ' PRO . 53.5 mt -61.35 -52.61 59.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.27 -49.39 77.28 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.092 0.957 . . . . 0.0 109.7 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -65.81 -11.95 50.33 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.391 0.676 . . . . 0.0 112.703 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -105.32 -31.61 8.99 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 118.353 0.524 . . . . 0.0 110.799 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 tt -76.73 -49.42 16.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -154.0 84.06 4.16 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 122.439 0.296 . . . . 0.0 110.375 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.86 178.99 5.19 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 123.202 2.601 . . . . 0.0 109.943 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.59 53.08 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.37 -178.01 4.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.985 0.914 . . . . 0.0 110.444 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -140.81 106.72 5.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.503 ' CG ' HG13 ' B' ' 79' ' ' VAL . 50.2 m-85 -84.76 152.5 23.64 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.06 111.74 7.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.901 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -68.28 147.98 51.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.737 0.415 . . . . 0.0 109.994 174.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.48 157.6 41.55 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.546 0.738 . . . . 0.0 109.925 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -53.48 174.21 0.05 OUTLIER 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 126.696 1.999 . . . . 0.0 115.389 -168.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -124.92 170.95 10.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.227 1.011 . . . . 0.0 111.929 -175.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -153.9 168.67 25.58 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.312 1.045 . . . . 0.0 109.819 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.41 174.37 32.65 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.203 0.43 . . . . 0.0 112.271 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.39 -173.32 3.25 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.809 0.843 . . . . 0.0 110.142 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -66.1 -3.54 5.7 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 122.114 -0.366 . . . . 0.0 111.238 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -127.5 160.68 30.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.895 1.278 . . . . 0.0 108.148 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.71 15.04 0.33 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.06 0.544 . . . . 0.0 112.342 -175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -59.99 155.04 17.58 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.943 0.897 . . . . 0.0 111.077 -176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.6 m -141.8 156.05 45.57 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.689 0.396 . . . . 0.0 110.398 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.414 ' CZ ' " H5'" ' A' ' 8' ' ' ' U' . 24.8 m-85 -141.8 172.94 11.99 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 125.436 1.494 . . . . 0.0 107.837 -178.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.9 OUTLIER -148.24 158.71 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 118.208 -1.397 . . . . 0.0 111.687 175.187 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.6 mmm -127.69 156.72 41.94 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.899 1.28 . . . . 0.0 107.945 174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.3 p -134.65 169.08 17.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -146.97 161.95 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.356 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -131.51 109.95 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 171.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.577 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 35.0 t70 57.27 8.66 0.6 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.021 0.928 . . . . 0.0 112.868 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.32 -12.78 36.71 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.202 0.906 . . . . 0.0 111.828 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.07 172.74 13.38 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -132.87 145.34 50.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -140.82 166.17 25.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.642 0.377 . . . . 0.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -146.01 162.42 37.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.627 0.771 . . . . 0.0 109.385 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.37 106.08 0.21 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -86.02 164.12 17.55 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 117.374 0.587 . . . . 0.0 110.623 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.67 172.1 41.77 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 mtp-105 -73.14 -14.62 61.41 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 117.088 0.444 . . . . 0.0 112.003 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -150.36 162.2 41.0 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.387 1.075 . . . . 0.0 108.594 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -32.41 73.58 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -67.66 -48.65 66.03 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.368 0.667 . . . . 0.0 110.426 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.4 -38.68 90.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.444 0.697 . . . . 0.0 109.837 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.15 86.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.813 0.445 . . . . 0.0 111.264 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -65.3 -36.33 83.73 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.978 -0.451 . . . . 0.0 110.714 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.46 69.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.251 0.478 . . . . 0.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -78.1 -51.31 10.47 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.738 0.415 . . . . 0.0 110.94 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.45 84.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.592 0.357 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.66 -36.45 70.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.935 0.494 . . . . 0.0 110.759 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -66.13 -36.66 83.73 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.3 m -67.05 -44.64 79.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.74 95.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.453 0.301 . . . . 0.0 110.429 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.422 ' C ' HD23 ' B' ' 105' ' ' LEU . 5.7 tt -61.36 -66.9 0.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.056 0.942 . . . . 0.0 109.75 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.36 -15.94 7.75 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -174.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.6 m -97.04 -58.06 2.12 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.68 0.673 . . . . 0.0 111.127 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.06 -28.96 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 117.815 0.28 . . . . 0.0 110.89 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -92.17 -5.42 52.63 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.338 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 58.86 21.48 9.14 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.407 0.683 . . . . 0.0 112.675 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.56 -167.3 1.44 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.767 0.827 . . . . 0.0 110.674 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . 0.489 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 31.0 t-80 -132.75 -177.75 4.63 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.124 0.569 . . . . 0.0 110.055 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.489 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.9 tp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 117.26 -1.352 . . . . 0.0 110.412 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.361 -3.339 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 O4'-C1'-N19 111.683 3.483 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.263 -3.437 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.034 -3.666 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.468 -3.232 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.405 -3.295 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.208 -3.492 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.414 " H5'" ' CZ ' ' B' ' 75' ' ' PHE . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.289 -3.411 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.554 -3.146 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.783 -2.917 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 C4'-C3'-C2' 99.58 -3.12 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.004 -3.696 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.437 -3.263 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.49 -3.21 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.403 -3.297 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.662 -3.038 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.326 -3.374 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.181 -3.519 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 98.791 -3.909 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.541 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 99.53 -3.17 OUTLIER-EPSILON 0.443 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.44 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 P-O3'-C3' 125.363 4.719 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.541 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.477 1 O4'-C1'-N19 112.38 4.18 . 0.374 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O4'-C1'-N19 110.861 2.661 . 0.836 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C5'-C4'-C3' 111.369 -2.754 . 0.604 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.8 -2.9 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.633 -3.067 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.065 -3.635 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C4'-C3'-C2' 98.83 -3.87 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 C4'-C3'-C2' 98.849 -3.851 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.267 -3.433 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C4'-C3'-C2' 99.571 -3.129 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.211 -3.489 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C4'-C3'-C2' 99.352 -3.348 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 C4'-C3'-C2' 99.158 -3.542 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.399 -3.301 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C4'-C3'-C2' 99.106 -3.594 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C1'-N19 111.003 2.803 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C5'-C4'-C3' 109.775 -3.817 . 0.657 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.306 -3.394 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.129 -3.571 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 C4'-C3'-C2' 98.386 -4.314 . 0.824 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 O4'-C1'-N19 112.014 3.814 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo . . . . . 0 N--CA 1.471 0.201 0 N-CA-C 112.517 0.16 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 65.6 m -68.49 -7.85 35.8 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.768 0.427 . . . . 0.0 111.944 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.85 9.8 35.72 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.507 0.575 . . . . 0.0 112.639 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.88 -16.93 32.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 117.775 0.788 . . . . 0.0 111.996 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -142.42 158.86 59.8 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 123.067 0.547 . . . . 0.0 110.0 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 77.1 Cg_endo -76.11 -9.12 19.16 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.195 2.597 . . . . 0.0 111.035 175.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -63.06 -47.94 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.553 0.341 . . . . 0.0 110.117 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 6.8 mmt -69.91 -45.43 67.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.7 pt -60.27 -36.02 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 CA-C-N 119.076 0.853 . . . . 0.0 110.569 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 tt -64.61 -53.69 43.77 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 173.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -60.99 -10.61 6.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.467 1.507 . . . . 0.0 113.504 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.08 -18.5 11.67 Favored 'General case' 0 C--N 1.338 0.083 0 CA-C-N 118.76 0.709 . . . . 0.0 111.826 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -88.66 -49.8 6.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -158.53 83.18 2.64 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.715 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -72.21 178.93 5.45 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.448 2.765 . . . . 0.0 109.644 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 121.32 31.07 1.2 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 112.261 -0.335 . . . . 0.0 112.261 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.81 -172.72 2.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.588 0.755 . . . . 0.0 110.686 -173.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' B' ' 60' ' ' LYS . 13.1 ptpt -148.3 156.82 43.01 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' B' ' 79' ' ' VAL . 30.7 m-85 -126.68 155.15 43.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 118.243 0.474 . . . . 0.0 110.24 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -140.12 112.17 7.61 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.388 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.31 148.33 50.9 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.879 0.472 . . . . 0.0 110.12 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.68 157.45 42.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.621 0.768 . . . . 0.0 109.922 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -54.44 175.19 0.05 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 126.666 1.986 . . . . 0.0 115.475 -168.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -122.11 171.31 9.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.024 0.93 . . . . 0.0 112.511 -174.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -152.32 172.84 15.84 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.276 1.03 . . . . 0.0 110.037 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.24 175.94 50.95 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.738 0.685 . . . . 0.0 113.026 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -93.77 175.72 6.62 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.024 0.93 . . . . 0.0 110.12 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -63.19 -3.16 1.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.99 1.2 10.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.517 0.727 . . . . 0.0 111.542 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.28 14.08 1.82 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.091 0.956 . . . . 0.0 109.959 178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -56.85 147.18 24.07 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.256 1.023 . . . . 0.0 111.933 -172.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.3 m -143.51 155.48 44.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.354 0.662 . . . . 0.0 109.472 175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 34.9 m-85 -141.2 171.78 13.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.289 1.436 . . . . 0.0 108.026 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.78 158.92 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 118.386 -1.325 . . . . 0.0 111.538 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.6 mmm -126.44 156.75 40.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.726 1.21 . . . . 0.0 107.998 174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 95.1 p -133.94 170.74 15.18 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' B' ' 61' ' ' TYR . 1.8 t -147.36 159.68 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -134.16 109.91 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 170.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.86 137.86 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.737 -177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.4 t70 56.48 12.49 1.07 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.222 0.609 . . . . 0.0 112.453 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.8 -10.73 72.05 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -80.03 169.54 17.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -131.52 143.9 50.73 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -138.07 167.18 22.34 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 111.656 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.33 162.91 37.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.898 0.879 . . . . 0.0 109.164 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.86 108.44 0.26 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 85.5 p -89.56 163.58 15.13 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 117.269 0.534 . . . . 0.0 110.76 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -167.09 170.2 41.33 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -74.23 -10.8 59.96 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.481 0.641 . . . . 0.0 112.005 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -148.48 164.49 34.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.555 1.142 . . . . 0.0 109.681 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.42 -36.69 84.99 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.464 ' HE3' ' OP1' ' A' ' 30' ' ' ' C' . 84.7 tttt -65.9 -46.18 79.26 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 123.125 0.57 . . . . 0.0 110.806 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -67.32 -39.59 85.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.58 -46.18 84.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.915 0.486 . . . . 0.0 111.058 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -65.88 -39.09 90.35 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 122.034 -0.416 . . . . 0.0 110.443 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.9 -29.98 71.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.242 0.473 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -75.14 -52.35 11.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.964 0.505 . . . . 0.0 110.854 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.62 -34.62 78.7 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.8 69.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.202 0.601 . . . . 0.0 110.726 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -66.27 -37.75 86.19 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 70.1 m -67.49 -44.69 77.88 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.41 -45.07 89.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.929 0.491 . . . . 0.0 110.276 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.422 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.2 tt -61.35 -64.02 1.09 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.595 0.758 . . . . 0.0 109.816 178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.91 -14.0 5.46 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 90.1 m -99.29 -57.46 2.15 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 118.674 0.67 . . . . 0.0 111.013 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.98 -26.32 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 122.581 0.352 . . . . 0.0 111.476 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 3.8 m-30 -93.72 -4.95 49.52 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.974 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 59.22 21.24 9.35 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.686 0.795 . . . . 0.0 112.554 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.89 -167.58 1.51 Allowed 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.899 0.879 . . . . 0.0 110.729 -177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . 0.465 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 33.0 t-80 -132.45 -179.91 5.73 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.929 0.492 . . . . 0.0 110.177 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.465 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 22.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.129 -1.415 . . . . 0.0 110.431 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 C4'-C3'-C2' 99.295 -3.405 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.768 3.568 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.158 -3.542 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 111.824 3.624 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.33 -3.37 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.597 -3.103 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.097 -3.603 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.327 -3.373 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.427 -3.273 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.787 -2.913 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.391 -3.309 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 1 C4'-C3'-C2' 98.675 -4.025 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 99.213 -3.487 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.73 -2.97 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 100.057 -2.643 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.41 -3.29 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.025 -3.675 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.149 -3.551 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 111.25 3.05 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 1 C5'-C4'-C3' 108.093 -4.938 . 0.837 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C4'-C3'-C2' 99.627 -3.073 . 0.214 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 1 C5'-C4'-C3' 108.796 -4.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 C5'-C4'-C3' 109.672 -3.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 110.285 -3.477 . 0.635 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.47 -3.23 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.377 -3.323 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 112.059 3.859 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.001 -3.699 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 C5'-C4'-C3' 109.312 -4.125 . 0.214 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.464 ' OP1' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 99.32 -3.38 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.178 -3.522 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.086 -3.614 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.271 -3.429 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 99.194 -3.506 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 0 C4'-C3'-C2' 99.033 -3.667 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.736 3.536 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.373 -3.327 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.032 -3.668 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C4'-C3'-C2' 99.112 -3.588 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 98.833 -3.867 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.403 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.559 1 C4'-C3'-C2' 98.454 -4.246 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 O4'-C1'-N19 112.184 3.984 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo . . . . . 0 N--CA 1.478 0.601 0 N-CA-C 112.281 0.07 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 22.0 t -149.47 -176.76 5.52 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.574 0.749 . . . . 0.0 109.878 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.47 6.38 57.5 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.008 0.337 . . . . 0.0 112.358 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -66.86 -7.51 22.25 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.343 1.057 . . . . 0.0 112.521 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . 0.41 ' HB2' ' HD2' ' B' ' 48' ' ' PRO . 23.6 p30 -141.15 164.23 37.02 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 122.844 0.458 . . . . 0.0 111.344 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' B' ' 51' ' ' ILE . 65.8 Cg_endo -71.17 -11.98 29.57 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.075 2.516 . . . . 0.0 111.559 175.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 56.5 t -60.16 -49.78 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 122.977 0.511 . . . . 0.0 109.949 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 61.0 tpp -67.24 -36.89 82.59 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.199 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' B' ' 48' ' ' PRO . 42.4 mt -57.07 -54.38 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.11 -48.55 75.97 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.188 0.995 . . . . 0.0 109.529 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -67.75 -9.74 46.57 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.506 0.722 . . . . 0.0 112.864 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.1 -42.97 6.5 Favored 'General case' 0 C--N 1.338 0.091 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 2.0 tt -70.81 -51.31 27.61 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 122.61 0.364 . . . . 0.0 111.418 -175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -152.26 79.83 6.04 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.09 177.73 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.581 2.854 . . . . 0.0 109.963 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.59 36.85 1.37 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 121.44 -0.409 . . . . 0.0 112.572 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -177.67 4.07 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.737 0.815 . . . . 0.0 110.568 -175.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -138.1 158.1 44.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 174.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' B' ' 79' ' ' VAL . 32.4 m-85 -130.68 155.41 46.64 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -140.87 112.44 7.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.358 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -68.92 148.25 50.46 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 174.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -129.27 157.43 41.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.73 0.812 . . . . 0.0 109.594 177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -56.6 176.55 0.09 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.083 1.753 . . . . 0.0 115.133 -168.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.407 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 0.0 OUTLIER -120.64 174.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.041 0.936 . . . . 0.0 112.215 -175.25 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 82.8 p -154.75 173.25 16.68 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.648 0.779 . . . . 0.0 110.103 177.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.84 171.42 47.75 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.501 0.572 . . . . 0.0 112.585 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.43 -172.37 3.78 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.266 1.027 . . . . 0.0 110.337 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -61.24 -9.45 5.03 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -120.79 156.8 31.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.568 1.147 . . . . 0.0 108.1 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.92 19.05 0.89 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.474 0.31 . . . . 0.0 111.788 -173.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.2 148.55 22.0 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 124.138 0.975 . . . . 0.0 110.358 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -141.54 154.22 45.34 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 123.164 0.29 . . . . 0.0 110.526 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 25.3 m-85 -140.73 173.16 11.76 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 125.911 1.684 . . . . 0.0 107.128 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.8 OUTLIER -148.75 159.39 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.897 175.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 86.2 mmm -128.31 156.34 43.22 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 108.137 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 92.7 p -133.5 170.44 15.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 167.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.444 HG22 ' CD2' ' B' ' 61' ' ' TYR . 2.1 t -146.51 162.67 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 89.5 t -136.44 109.13 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 p -134.57 138.0 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.1 12.39 1.26 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.154 0.582 . . . . 0.0 112.51 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.04 -11.41 70.8 Favored Glycine 0 C--N 1.338 0.642 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -79.59 170.21 16.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -132.52 145.12 50.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -139.33 168.17 20.43 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.502 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -146.39 162.06 39.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.667 0.787 . . . . 0.0 109.223 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -176.03 106.98 0.23 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.7 p -85.32 166.66 16.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.344 0.572 . . . . 0.0 110.49 175.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.0 172.19 44.25 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -69.39 -19.15 63.82 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-N 117.088 0.444 . . . . 0.0 112.196 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -149.54 174.84 12.07 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.798 0.839 . . . . 0.0 109.684 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -61.85 -40.16 94.36 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.835 0.854 . . . . 0.0 112.395 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.36 -49.98 50.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 122.866 0.466 . . . . 0.0 110.983 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -38.19 85.84 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.57 0.748 . . . . 0.0 109.965 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.59 73.16 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.65 0.38 . . . . 0.0 110.756 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -64.0 -35.02 79.33 Favored 'General case' 0 C--O 1.225 -0.194 0 O-C-N 122.043 -0.411 . . . . 0.0 110.526 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 -34.45 78.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.045 0.384 . . . . 0.0 110.299 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -73.14 -49.22 29.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.726 0.41 . . . . 0.0 110.839 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.32 86.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 122.548 0.339 . . . . 0.0 110.884 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 -37.46 66.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.882 0.473 . . . . 0.0 110.659 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.43 -40.06 93.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 61.4 m -68.63 -43.5 76.2 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.76 90.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.97 0.508 . . . . 0.0 110.852 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' B' ' 109' ' ' PHE . 7.9 tt -64.2 -62.38 1.65 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.676 0.39 . . . . 0.0 110.412 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.16 -32.95 56.8 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 85.1 m -79.46 -57.49 3.67 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 118.495 0.589 . . . . 0.0 111.223 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.44 -28.67 42.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 122.549 0.339 . . . . 0.0 111.527 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.7 m-30 -94.94 0.81 55.03 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.35 -0.834 . . . . 0.0 111.002 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.2 13.76 1.31 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.517 1.527 . . . . 0.0 114.385 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 48.8 mt -114.1 174.1 6.11 Favored 'General case' 0 C--O 1.227 -0.118 0 C-N-CA 123.032 0.533 . . . . 0.0 112.074 -174.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -92.29 161.53 14.66 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 62.9 tp . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.228 -179.726 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.331 -3.369 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.695 3.495 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.158 -3.542 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.741 0 C4'-C3'-C2' 98.968 -3.732 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.538 -3.162 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.335 -3.365 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.516 -3.184 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.282 -3.418 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 99.23 -3.47 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 C4'-C3'-C2' 99.559 -3.141 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.525 -3.175 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.214 -3.486 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.687 -3.013 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.672 -3.028 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-O4' 113.013 2.724 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 C5'-C4'-C3' 108.676 -4.549 . 0.547 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.646 -3.054 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C4'-C3'-C2' 99.353 -3.347 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 112.002 3.802 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . 0.475 " H2'" ' C5 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.777 -2.923 OUTLIER-EPSILON 0.467 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.42 ' OP1' " H4'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 P-O3'-C3' 125.248 4.623 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.475 ' C5 ' " H2'" ' A' ' 20' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 112.162 3.962 . 0.347 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 111.165 2.965 . 0.834 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C5'-C4'-C3' 110.407 -3.395 . 0.655 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.509 -3.191 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.456 -3.244 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 O4'-C1'-N19 111.849 3.649 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.579 -3.121 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.017 -3.683 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C4'-C3'-C2' 99.368 -3.332 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.744 -2.956 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 111.9 3.7 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 C4'-C3'-C2' 99.397 -3.303 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C4'-C3'-C2' 99.185 -3.515 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 98.967 -3.733 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.912 3.712 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.188 -3.512 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 98.921 -3.779 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.068 -3.632 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 98.756 -3.944 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.402 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 C4'-C3'-C2' 98.416 -4.284 . 0.812 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 112.043 3.843 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.487 0 N-CA-C 112.531 0.166 . . . . 0.0 112.531 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 46.2 m -67.95 -9.87 48.78 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.79 15.8 71.66 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 118.447 0.567 . . . . 0.0 112.554 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.7 1.23 1.35 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.157 0.983 . . . . 0.0 113.53 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -134.43 159.47 72.14 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 123.429 0.692 . . . . 0.0 110.02 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 90.8 Cg_endo -74.33 -13.03 23.1 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.285 2.657 . . . . 0.0 111.951 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.36 -51.64 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -74.46 -38.28 63.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.244 -175.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 6.4 pt -61.55 -35.9 69.87 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.094 0 C-N-CA 118.549 -1.26 . . . . 0.0 109.986 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.414 ' C ' HD23 ' B' ' 52' ' ' LEU . 4.6 tt -63.35 -59.17 5.06 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -66.91 -0.34 3.02 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -174.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.81 -17.8 10.94 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.482 0.583 . . . . 0.0 110.938 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 tt -89.96 -51.05 5.67 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -145.81 81.92 9.67 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.301 0.64 . . . . 0.0 110.23 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.49 176.14 8.47 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.259 2.639 . . . . 0.0 110.166 175.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.57 49.52 0.8 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.03 -175.6 3.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.865 0.866 . . . . 0.0 110.314 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' B' ' 60' ' ' LYS . 3.4 mppt? -143.28 113.11 7.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 122.756 0.423 . . . . 0.0 110.339 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.494 ' CG ' HG13 ' B' ' 79' ' ' VAL . 42.8 m-85 -85.73 155.38 21.08 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 121.271 0.557 . . . . 0.0 110.891 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.06 110.42 6.02 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.967 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -72.42 147.09 46.49 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.4 158.1 39.24 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.447 0.699 . . . . 0.0 110.361 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -53.1 173.81 0.04 OUTLIER 'General case' 0 C--O 1.23 0.077 0 C-N-CA 126.815 2.046 . . . . 0.0 115.393 -168.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.24 173.9 10.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.26 1.024 . . . . 0.0 112.634 -174.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -159.71 167.03 29.3 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.856 1.263 . . . . 0.0 108.618 175.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.56 -172.01 23.23 Favored Glycine 0 CA--C 1.526 0.72 0 CA-C-O 121.168 0.316 . . . . 0.0 112.857 178.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -129.34 21.17 5.68 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.603 1.161 . . . . 0.0 111.609 -176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 22.6 m 76.09 -1.67 2.9 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.045 1.738 . . . . 0.0 113.107 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -127.51 0.02 6.23 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.652 174.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.43 14.99 2.01 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.044 1.337 . . . . 0.0 109.637 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -56.86 142.16 42.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.589 1.156 . . . . 0.0 111.578 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 70.0 m -142.02 159.32 42.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.375 0.67 . . . . 0.0 109.781 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -141.16 170.83 15.0 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 125.015 1.326 . . . . 0.0 108.465 -177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -143.26 156.86 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 118.445 -1.302 . . . . 0.0 110.79 173.396 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 2.9 tpt -142.21 133.54 26.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -123.85 173.07 8.42 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.494 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.8 OUTLIER -147.29 160.68 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 110.866 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.49 111.02 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -134.81 138.7 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.67 11.73 0.96 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.27 -10.9 71.15 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -80.01 170.03 17.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -132.09 144.93 51.07 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -141.33 163.63 32.43 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.001 0.52 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -146.04 162.49 37.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.962 0.505 . . . . 0.0 109.923 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.81 103.3 0.18 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 78.8 p -81.27 163.87 22.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.493 0.646 . . . . 0.0 110.15 175.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.84 174.33 43.42 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.12 -15.53 61.48 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 122.974 0.51 . . . . 0.0 111.916 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -155.21 167.81 29.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.273 1.029 . . . . 0.0 109.563 -177.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -63.12 -40.97 99.17 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.29 0.636 . . . . 0.0 112.109 -175.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -62.81 -39.16 93.4 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.289 0.635 . . . . 0.0 110.346 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -75.67 -39.75 57.08 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.546 0.739 . . . . 0.0 110.617 -176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -49.59 74.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -63.67 -37.82 88.8 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 119.314 -0.375 . . . . 0.0 111.064 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.87 71.89 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.405 0.548 . . . . 0.0 110.953 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -75.64 -51.0 13.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.833 0.453 . . . . 0.0 110.777 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.54 85.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.771 0.429 . . . . 0.0 111.442 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.36 -33.19 69.34 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.569 0.348 . . . . 0.0 110.701 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -66.43 -38.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -68.63 -43.66 75.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.54 83.65 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.071 0.548 . . . . 0.0 110.594 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -57.97 10.16 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.392 0.677 . . . . 0.0 110.032 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.83 -25.68 42.94 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 89.7 m -92.65 -56.68 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.374 0.534 . . . . 0.0 111.476 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 68.0 t -65.91 -28.88 45.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.45 0.3 . . . . 0.0 111.717 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -95.68 -0.79 51.2 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 118.07 -0.967 . . . . 0.0 111.379 -178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 51.67 17.18 0.55 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.809 1.243 . . . . 0.0 112.785 -173.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 47.6 mt -130.18 107.14 9.08 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.765 1.226 . . . . 0.0 109.643 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 -61.26 158.09 14.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.609 0.242 . . . . 0.0 110.805 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.326 -1.321 . . . . 0.0 110.634 179.402 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.454 -3.246 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 O4'-C1'-N19 111.888 3.688 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C4'-C3'-C2' 99.241 -3.459 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 C4'-C3'-C2' 99.044 -3.656 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.268 -3.432 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 N19-C1'-C2' 107.92 -3.425 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C4'-C3'-C2' 99.736 -2.964 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.293 -3.407 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 C4'-C3'-C2' 99.214 -3.486 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C4'-C3'-C2' 99.676 -3.024 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.504 -3.196 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C4'-C3'-C2' 98.986 -3.714 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.395 -3.305 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.903 -2.797 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 C4'-C3'-C2' 99.824 -2.876 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.205 -3.495 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 O4'-C1'-N19 111.59 3.39 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.309 -3.391 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 112.254 4.054 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 98.905 -3.795 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 1 C5'-C4'-C3' 108.572 -4.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 1 O4'-C1'-N19 112.223 4.023 . 0.293 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 0 C5'-C4'-C3' 111.927 -2.382 . 0.871 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 0 C5'-C4'-C3' 111.306 -2.796 . 0.721 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 N19-C1'-C2' 108.807 -2.87 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 100.071 -2.629 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 O4'-C1'-N19 112.242 4.042 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 99.195 -3.505 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.076 -3.624 . 0.355 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.091 -3.609 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.448 -3.252 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.888 3.688 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.484 -3.216 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 C4'-C3'-C2' 99.158 -3.542 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.159 -3.541 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.23 -3.47 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.17 2.97 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 C5'-C4'-C3' 108.83 -4.447 . 0.851 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.109 -3.591 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 98.746 -3.954 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 C4'-C3'-C2' 98.336 -4.364 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 O4'-C1'-N19 112.099 3.899 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . 0.588 ' N ' HO2' ' A' ' 30' ' ' ' C' . 3.1 Cg_exo . . . . . 0 N--CA 1.475 0.406 0 CA-C-O 119.643 -0.232 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -141.8 168.04 20.7 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.55 0.74 . . . . 0.0 109.838 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.22 2.54 3.92 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.157 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 54.63 13.47 0.69 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.39 1.076 . . . . 0.0 113.465 -179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -60.61 160.65 17.84 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 123.477 0.711 . . . . 0.0 110.741 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.474 ' HA ' HD12 ' B' ' 51' ' ' ILE . 72.7 Cg_endo -71.44 -12.12 29.18 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 122.679 2.252 . . . . 0.0 111.224 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.53 -50.63 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.478 0.711 . . . . 0.0 110.009 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.1 tpt -68.81 -36.1 77.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 119.766 -0.159 . . . . 0.0 111.425 -176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 48' ' ' PRO . 46.4 mt -56.12 -53.99 32.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.173 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.06 -50.48 73.3 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.595 0.758 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -67.1 -5.7 14.4 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.71 0.804 . . . . 0.0 112.951 -178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.0 -32.92 6.43 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.619 0.645 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 tt -74.25 -59.65 2.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -145.51 83.08 9.19 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 122.913 0.485 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.68 177.2 7.16 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.085 2.523 . . . . 0.0 109.968 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.18 50.66 0.53 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.98 -177.09 4.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.803 0.841 . . . . 0.0 110.564 -176.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' B' ' 60' ' ' LYS . 50.5 mtmt -143.11 110.02 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.491 ' CG ' HG13 ' B' ' 79' ' ' VAL . 48.1 m-85 -84.18 156.06 22.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 121.621 0.724 . . . . 0.0 111.275 176.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -140.64 119.08 12.2 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.747 1.219 . . . . 0.0 108.617 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.541 ' C ' HD22 ' B' ' 64' ' ' LEU . 66.8 t80 -82.89 139.53 33.38 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.541 HD22 ' C ' ' B' ' 63' ' ' PHE . 3.7 mm? -120.78 159.21 25.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.501 0.72 . . . . 0.0 109.756 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.15 173.71 0.07 Allowed 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -167.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.67 174.29 6.91 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.857 0.863 . . . . 0.0 112.319 -176.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -158.66 174.82 14.46 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.301 1.04 . . . . 0.0 109.325 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.74 -177.6 46.72 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.013 0.34 . . . . 0.0 112.662 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.62 179.98 3.9 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.749 1.219 . . . . 0.0 109.783 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.1 m -60.01 3.31 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -129.49 -0.33 4.99 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.863 0.865 . . . . 0.0 111.746 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.52 11.44 0.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.358 0.663 . . . . 0.0 111.033 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 36.9 tptt -54.97 143.78 25.27 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.712 0.805 . . . . 0.0 111.652 -174.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 67.7 p -142.83 155.25 44.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.499 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -139.12 161.71 36.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -134.88 153.89 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 117.954 -1.499 . . . . 0.0 110.426 177.24 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -138.57 134.28 33.62 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -177.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 50.6 m -130.82 169.63 15.48 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -174.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.491 HG13 ' CG ' ' B' ' 61' ' ' TYR . 0.7 OUTLIER -146.82 161.77 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.376 -175.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 87.0 t -132.61 112.83 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 169.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -137.26 138.85 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 38.5 t70 55.91 11.84 0.78 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.34 70.02 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -79.25 170.35 16.76 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -131.45 145.68 51.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 110.222 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -140.92 162.75 34.72 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.514 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -147.17 159.89 43.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.055 0.942 . . . . 0.0 108.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.12 100.72 0.16 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 43.0 t -78.69 160.02 27.7 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 117.477 0.639 . . . . 0.0 110.277 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.12 174.26 41.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.36 -15.83 61.36 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -153.82 170.97 19.7 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 109.801 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.93 -47.95 83.7 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 123.011 0.524 . . . . 0.0 111.959 -176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.89 -43.17 99.39 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 122.505 0.322 . . . . 0.0 111.295 -177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.07 -38.84 86.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.668 0.387 . . . . 0.0 110.135 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.36 76.39 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 110.612 -0.144 . . . . 0.0 110.612 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -63.75 -38.86 92.7 Favored 'General case' 0 C--O 1.226 -0.181 0 O-C-N 122.185 -0.322 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.87 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.326 0.512 . . . . 0.0 110.818 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -74.37 -54.83 6.84 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.968 0.507 . . . . 0.0 110.639 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.21 75.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.533 0.333 . . . . 0.0 111.73 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.27 -38.48 68.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.495 0.318 . . . . 0.0 110.245 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -64.39 -36.07 82.96 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 65.0 m -70.22 -44.51 68.46 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.61 88.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.017 0.527 . . . . 0.0 110.146 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.48 -59.35 5.38 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.871 0.868 . . . . 0.0 109.396 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.15 -17.83 12.61 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 80.4 m -100.78 -57.77 2.03 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.423 0.556 . . . . 0.0 111.653 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 63.0 t -66.53 -30.91 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 122.573 0.349 . . . . 0.0 111.506 -174.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -89.68 -8.7 51.82 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.956 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.21 19.1 4.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.454 0.701 . . . . 0.0 111.288 -173.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.2 mt -131.32 108.85 9.94 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 124.84 1.256 . . . . 0.0 109.261 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -62.69 158.19 19.06 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 110.555 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 47.0 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 117.516 -1.231 . . . . 0.0 110.498 178.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 111.78 3.58 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.241 -3.459 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 C4'-C3'-C2' 99.048 -3.652 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 99.27 -3.43 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.344 -3.356 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.361 -3.339 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.506 -3.194 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.81 -2.89 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.673 -3.027 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C4'-C3'-C2' 99.357 -3.343 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 98.872 -3.828 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.716 0 C4'-C3'-C2' 99.367 -3.333 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C4'-C3'-C2' 99.599 -3.101 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.521 -3.179 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.379 -3.321 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 C4'-C3'-C2' 99.199 -3.501 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.19 -3.51 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 O4'-C1'-N19 112.147 3.947 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.35 -3.35 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 O4'-C1'-N19 111.069 2.869 . 0.558 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.584 2.384 . 0.556 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 C5'-C4'-C3' 111.76 -2.493 . 0.817 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 C5'-C4'-C3' 110.934 -3.044 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.366 -3.334 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C4'-C3'-C2' 99.491 -3.209 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.904 3.704 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.028 -3.672 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 99.111 -3.589 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.588 HO2' ' N ' ' B' ' 43' ' ' PRO . . . . . . . . 0 O4'--C4' 1.424 -2.404 0 O4'-C1'-N19 111.866 3.666 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.574 -3.126 . 0.615 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 O4'-C1'-N19 111.989 3.789 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 C4'-C3'-C2' 99.414 -3.286 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C4'-C3'-C2' 99.088 -3.612 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.02 -3.68 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.32 -3.38 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O4'-C1'-N19 111.103 2.903 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C5'-C4'-C3' 108.916 -4.389 . 0.823 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C4'-C3'-C2' 99.036 -3.664 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 98.915 -3.785 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 1 C4'-C3'-C2' 98.431 -4.269 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 O4'-C1'-N19 112.15 3.95 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo . . . . . 0 N--CA 1.471 0.147 0 CA-C-O 120.547 0.144 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -69.7 -4.02 17.83 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.297 0.639 . . . . 0.0 112.465 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.85 -7.12 88.49 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.682 -0.51 . . . . 0.0 112.547 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -71.01 170.45 12.78 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 117.769 0.784 . . . . 0.0 110.545 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -147.23 138.03 12.82 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.427 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 73.2 Cg_endo -75.01 -14.73 21.03 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.484 2.789 . . . . 0.0 112.979 -170.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.01 -46.0 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 118.455 0.57 . . . . 0.0 109.99 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 38.1 tpp -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.7 -175.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.6 pt -62.71 -37.91 80.26 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.626 178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.24 -50.43 73.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -62.74 -10.28 12.21 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.903 1.281 . . . . 0.0 112.659 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.61 -13.19 14.86 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.832 0.742 . . . . 0.0 111.668 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.476 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 1.1 tt -104.93 -38.82 6.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 117.596 0.18 . . . . 0.0 110.892 -176.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -157.15 80.31 3.45 Favored Pre-proline 0 N--CA 1.453 -0.285 0 C-N-CA 122.26 0.224 . . . . 0.0 110.809 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -72.13 178.29 6.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.147 2.565 . . . . 0.0 109.284 173.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 40.83 2.71 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.22 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.48 -176.91 3.72 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.323 1.049 . . . . 0.0 110.092 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.21 155.08 49.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.461 ' CG ' HG13 ' B' ' 79' ' ' VAL . 34.4 m-85 -128.69 154.08 46.67 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -139.74 114.27 9.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.229 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -68.99 148.03 50.72 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.869 0.467 . . . . 0.0 110.165 175.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -129.44 161.23 30.85 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.798 0.839 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -49.59 172.54 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 127.377 2.271 . . . . 0.0 116.237 -167.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.452 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 11.5 pt-20 -130.57 159.24 37.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 110.804 -174.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 61.8 m -155.18 170.36 22.02 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.572 0.749 . . . . 0.0 110.448 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.84 171.41 37.26 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.892 0.758 . . . . 0.0 112.572 177.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -87.65 175.25 7.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.304 0.642 . . . . 0.0 110.073 177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 38.3 m -62.72 -3.17 1.39 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -123.59 3.65 8.96 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.766 0.826 . . . . 0.0 111.197 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.86 11.85 1.83 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.133 0.973 . . . . 0.0 110.436 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -57.0 147.85 22.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.683 1.193 . . . . 0.0 111.69 -174.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 81.0 p -146.02 161.3 40.43 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.097 0.559 . . . . 0.0 110.055 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.452 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 32.8 m-85 -146.05 171.53 14.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.783 1.233 . . . . 0.0 108.272 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.5 OUTLIER -147.56 160.14 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.332 175.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 89.2 mmm -128.99 158.63 38.32 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.732 1.213 . . . . 0.0 108.107 175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -135.29 170.89 15.24 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 168.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.6 t -147.32 166.23 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 91.8 t -135.94 109.13 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.95 126.02 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.934 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 57.78 8.92 0.76 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.206 1.002 . . . . 0.0 112.896 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.1 -13.16 34.12 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.135 0.874 . . . . 0.0 111.819 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.9 173.55 12.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -133.81 145.94 50.21 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -141.41 167.59 21.8 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 122.581 0.352 . . . . 0.0 111.656 -177.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.92 161.23 42.29 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.291 0.637 . . . . 0.0 109.919 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.75 120.06 0.74 Allowed Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 92.4 p -92.48 170.26 9.9 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 117.009 0.405 . . . . 0.0 110.902 177.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.37 172.08 43.36 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.56 -14.74 60.83 Favored 'General case' 0 CA--C 1.528 0.128 0 O-C-N 122.544 -0.386 . . . . 0.0 111.03 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -147.78 165.24 31.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.127 0.971 . . . . 0.0 109.449 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -61.85 -38.72 89.27 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . 0.48 ' HE3' ' OP2' ' A' ' 30' ' ' ' C' . 41.3 mtpt -69.27 -39.17 78.56 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-O 120.671 0.272 . . . . 0.0 110.888 -177.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -71.98 -37.2 69.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.267 0.627 . . . . 0.0 110.002 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.23 88.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.751 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -64.23 -33.24 75.36 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 122.151 -0.343 . . . . 0.0 110.207 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.18 80.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.168 0.44 . . . . 0.0 110.988 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -71.28 -53.78 13.1 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 118.441 0.564 . . . . 0.0 110.516 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.07 79.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 122.314 0.246 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.04 63.21 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.126 0.57 . . . . 0.0 110.726 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -66.53 -36.22 82.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.152 -0.342 . . . . 0.0 110.25 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.3 m -66.58 -45.1 80.36 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.9 89.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.35 0.26 . . . . 0.0 110.452 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.429 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.1 tt -63.87 -68.05 0.38 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.535 0.734 . . . . 0.0 109.854 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.42 -16.2 8.69 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 91.1 m -93.83 -60.25 1.8 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.724 0.693 . . . . 0.0 111.002 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.18 -28.29 43.25 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 O-C-N 122.3 -0.25 . . . . 0.0 111.21 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.9 m-30 -91.35 -0.32 57.63 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.521 -178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 54.9 14.13 0.86 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.745 1.218 . . . . 0.0 113.775 -177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 55.6 mt -118.5 -165.43 1.12 Allowed 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 124.577 1.151 . . . . 0.0 110.418 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -136.96 162.07 34.28 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.307 -1.33 . . . . 0.0 110.503 179.842 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.741 -2.959 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 111.965 3.765 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 99.311 -3.389 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C4'-C3'-C2' 99.012 -3.688 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 99.216 -3.484 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.268 -3.432 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.108 -3.592 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 O4'-C1'-N19 111.179 2.979 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.325 -3.375 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.531 -3.169 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C4'-C3'-C2' 99.582 -3.118 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C4'-C3'-C2' 98.822 -3.878 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.318 -3.382 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.347 -3.353 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.533 -3.167 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.058 -3.642 . 0.466 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.347 -3.353 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.417 -3.283 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 O4'-C1'-N19 111.182 2.982 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 1 C5'-C4'-C3' 109.146 -4.236 . 0.693 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 C5'-C4'-C3' 108.652 -4.565 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 1 O4'-C1'-N19 112.804 4.604 . 0.28 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 O4'-C1'-N19 110.946 2.746 . 0.87 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C5'-C4'-C3' 109.971 -3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.866 -2.834 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 C4'-C3'-C2' 99.579 -3.121 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 98.78 -3.92 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.165 -3.535 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 C5'-C4'-C3' 108.237 -4.842 . 0.327 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.48 ' OP2' ' HE3' ' B' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 C4'-C3'-C2' 99.53 -3.17 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.44 -3.26 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.172 -3.528 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.351 0 C4'-C3'-C2' 99.313 -3.387 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.177 -3.523 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.13 -3.57 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 O4'-C1'-N19 111.783 3.583 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C4'-C3'-C2' 99.184 -3.516 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 98.927 -3.773 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.0 -3.7 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 98.773 -3.927 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.402 " H2'" ' C6 ' ' A' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.556 1 C4'-C3'-C2' 98.349 -4.351 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 O4'-C1'-N19 112.151 3.951 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo . . . . . 0 N--CA 1.478 0.6 0 CA-C-O 120.09 -0.046 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 34.8 t -145.59 171.85 14.1 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.064 0.546 . . . . 0.0 110.084 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.25 2.49 11.46 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.569 0.604 . . . . 0.0 112.065 -178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 54.84 16.14 1.35 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.249 1.02 . . . . 0.0 112.836 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -60.66 161.61 14.2 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.812 0.845 . . . . 0.0 111.219 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.426 ' HA ' ' CG1' ' B' ' 51' ' ' ILE . 71.7 Cg_endo -72.39 -9.17 23.86 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 122.981 2.454 . . . . 0.0 110.951 176.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.78 -44.75 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.37 -50.41 59.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.889 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' B' ' 48' ' ' PRO . 4.1 pt -57.07 -40.67 74.61 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.084 0 CA-C-N 118.984 0.811 . . . . 0.0 110.68 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.72 -52.72 63.89 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.03 -4.83 3.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.486 1.115 . . . . 0.0 112.809 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -111.37 -13.88 13.84 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.929 0.492 . . . . 0.0 111.008 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 109' ' ' PHE . 0.8 OUTLIER -107.3 -34.75 7.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.565 0.346 . . . . 0.0 111.296 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -154.07 71.47 6.4 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 122.687 0.395 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.24 178.89 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.142 2.561 . . . . 0.0 109.406 173.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.35 54.78 2.48 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -174.92 3.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.676 1.19 . . . . 0.0 109.85 -176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -140.52 101.77 4.18 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.482 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . 0.454 ' CG ' HG13 ' B' ' 79' ' ' VAL . 57.6 m-85 -81.85 151.32 27.39 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.202 0.525 . . . . 0.0 110.411 174.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -138.88 111.71 7.78 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.591 173.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.16 148.69 50.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.826 0.45 . . . . 0.0 109.957 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -128.65 156.11 43.94 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.052 0.941 . . . . 0.0 109.185 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.0 m -54.28 161.11 1.43 Allowed 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -167.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . 0.432 ' HB3' ' CD2' ' B' ' 75' ' ' PHE . 7.8 pt-20 -81.65 173.03 12.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 125.053 1.341 . . . . 0.0 112.119 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -158.26 170.4 22.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.689 0.795 . . . . 0.0 110.037 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.94 176.85 38.45 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.472 1.034 . . . . 0.0 113.487 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -81.17 172.5 13.58 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.134 0.974 . . . . 0.0 110.257 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -66.32 -28.98 69.1 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -175.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -81.78 -6.39 59.02 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.48 22.28 1.66 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.003 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -51.44 141.11 16.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.013 0.925 . . . . 0.0 111.532 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -137.04 161.95 34.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.228 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' B' ' 66' ' ' GLU . 18.1 m-85 -146.45 175.26 10.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.935 1.294 . . . . 0.0 108.157 -176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' B' ' 89' ' ' SER . 0.7 OUTLIER -146.91 159.42 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.176 176.472 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . . . . . . . . . 92.0 mmm -129.26 156.79 43.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.492 1.117 . . . . 0.0 108.091 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -133.8 168.6 18.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.454 HG13 ' CG ' ' B' ' 61' ' ' TYR . 1.0 OUTLIER -147.65 162.25 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.133 -179.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 98.9 t -131.91 110.13 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 170.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 32.9 t -126.81 120.19 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.207 -174.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.89 5.08 0.46 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.606 1.163 . . . . 0.0 112.998 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.49 -14.13 11.95 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.451 1.024 . . . . 0.0 112.113 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.446 HE21 HG22 ' B' ' 108' ' ' VAL . 4.0 mp0 -76.59 171.04 15.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 117.619 0.71 . . . . 0.0 109.32 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -133.1 143.88 49.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -140.5 167.12 22.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.766 0.317 . . . . 0.0 111.668 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -145.77 161.5 39.79 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.881 0.872 . . . . 0.0 109.177 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.18 107.45 0.23 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' B' ' 76' ' ' VAL . 79.4 p -83.42 167.73 17.22 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 117.378 0.589 . . . . 0.0 110.507 175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.38 171.53 44.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.48 -11.56 60.5 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -140.49 164.45 30.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -67.63 -28.66 67.92 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 109.794 173.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -72.39 -49.25 35.28 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 124.378 1.071 . . . . 0.0 110.044 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -63.72 -41.05 98.13 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.077 0.951 . . . . 0.0 109.605 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -44.55 93.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.626 0.37 . . . . 0.0 110.773 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -64.47 -34.84 79.14 Favored 'General case' 0 C--O 1.225 -0.234 0 O-C-N 122.155 -0.341 . . . . 0.0 110.534 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.64 -32.24 73.7 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.402 0.547 . . . . 0.0 110.506 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.63 -50.15 18.88 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.404 0.281 . . . . 0.0 110.96 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.85 81.46 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.69 -38.96 70.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 122.577 0.351 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -62.66 -36.2 82.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 69.6 m -69.25 -44.73 71.34 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.64 80.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 110.79 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.424 ' C ' HD23 ' B' ' 105' ' ' LEU . 6.3 tt -64.35 -68.68 0.33 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.743 0.817 . . . . 0.0 109.704 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.6 -48.77 28.13 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.5 m -65.98 -61.86 1.81 Allowed 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.06 0.391 . . . . 0.0 111.76 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.446 HG22 HE21 ' B' ' 84' ' ' GLN . 25.5 t -68.38 -24.76 29.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -171.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 55' ' ' LEU . 2.6 m-30 -92.48 -3.98 54.34 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.111 -0.368 . . . . 0.0 110.818 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 59.11 25.88 14.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.636 0.775 . . . . 0.0 111.892 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 85.7 mt -127.44 -168.62 1.91 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.205 1.002 . . . . 0.0 110.749 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' HIS . . . . . 0.452 ' CG ' ' H ' ' B' ' 113' ' ' LEU . 36.9 t-80 -134.37 -179.97 5.91 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.511 0.724 . . . . 0.0 109.571 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.452 ' H ' ' CG ' ' B' ' 112' ' ' HIS . 20.3 tp . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.7 -1.143 . . . . 0.0 110.426 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.234 -3.466 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 O4'-C1'-N19 111.62 3.42 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 99.263 -3.437 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.084 -3.616 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.405 -3.295 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.278 -3.422 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 98.981 -3.719 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.451 -3.249 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.846 -2.854 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.86 -2.84 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.749 -2.951 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 98.968 -3.732 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.493 -3.207 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.497 -3.203 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.672 -3.028 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.155 -3.545 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.157 -3.543 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.342 -3.358 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.178 2.978 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 1 C5'-C4'-C3' 108.688 -4.542 . 0.628 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.975 2.775 . 0.712 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.462 " H1'" ' OP2' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-C3' 110.437 -3.376 OUTLIER-EPSILON 0.496 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.462 ' OP2' " H1'" ' A' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.128 2 P-O3'-C3' 126.305 5.505 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C5'-C4'-C3' 110.733 -3.178 . 0.764 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.376 -3.324 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.563 -3.137 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 O4'-C1'-N19 112.234 4.034 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.393 -3.307 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.396 -3.304 . 0.481 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 98.969 -3.731 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 99.723 -2.977 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 O4'-C1'-N19 111.78 3.58 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.6 -3.1 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C4'-C3'-C2' 99.215 -3.485 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.115 -3.585 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.115 -3.585 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 O4'-C1'-N19 111.37 3.17 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-C3' 108.816 -4.456 . 0.596 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.889 0 C4'-C3'-C2' 99.045 -3.655 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 0 C4'-C3'-C2' 99.148 -3.552 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.525 -4.175 . 0.816 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 112.177 3.977 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_